data_30404 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30404 _Entry.Title ; NMR structure of the Rous sarcoma virus matrix protein (M-domain) in the presence of myo-inositol hexakisphosphate ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-02-11 _Entry.Accession_date 2018-02-11 _Entry.Last_release_date 2018-02-21 _Entry.Original_release_date 2018-02-21 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.0.16 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 30404 stop_ loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 J. Vlach J. . . . 30404 2 J. Saad J. S. . . 30404 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ASV . 30404 Gag . 30404 IP6 . 30404 RSV . 30404 'VIRAL PROTEIN' . 30404 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30404 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 379 30404 '15N chemical shifts' 87 30404 '1H chemical shifts' 615 30404 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2018-10-15 . original BMRB . 30404 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6CE5 . 30404 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30404 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Interactions of ASV matrix protein with phospholipids ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 J. Vlach J. . . . 30404 1 2 G. Eastep G. N. . . 30404 1 3 R. Ghanam R. . . . 30404 1 4 J. Saad J. S. . . 30404 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30404 _Assembly.ID 1 _Assembly.Name 'Gag-Pol polyprotein (E.C.2.7.7.-,3.1.-.-)' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30404 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30404 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SEAVIKVISSACKTYCGKTS PSKKEIGAMLSLLQKEGLLM SPSDLYSPGSWDPITAALSQ RAMILGKSGELKTWGLVLGA LKAAREE ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation M1S _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9209.771 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 30404 1 2 . GLU . 30404 1 3 . ALA . 30404 1 4 . VAL . 30404 1 5 . ILE . 30404 1 6 . LYS . 30404 1 7 . VAL . 30404 1 8 . ILE . 30404 1 9 . SER . 30404 1 10 . SER . 30404 1 11 . ALA . 30404 1 12 . CYS . 30404 1 13 . LYS . 30404 1 14 . THR . 30404 1 15 . TYR . 30404 1 16 . CYS . 30404 1 17 . GLY . 30404 1 18 . LYS . 30404 1 19 . THR . 30404 1 20 . SER . 30404 1 21 . PRO . 30404 1 22 . SER . 30404 1 23 . LYS . 30404 1 24 . LYS . 30404 1 25 . GLU . 30404 1 26 . ILE . 30404 1 27 . GLY . 30404 1 28 . ALA . 30404 1 29 . MET . 30404 1 30 . LEU . 30404 1 31 . SER . 30404 1 32 . LEU . 30404 1 33 . LEU . 30404 1 34 . GLN . 30404 1 35 . LYS . 30404 1 36 . GLU . 30404 1 37 . GLY . 30404 1 38 . LEU . 30404 1 39 . LEU . 30404 1 40 . MET . 30404 1 41 . SER . 30404 1 42 . PRO . 30404 1 43 . SER . 30404 1 44 . ASP . 30404 1 45 . LEU . 30404 1 46 . TYR . 30404 1 47 . SER . 30404 1 48 . PRO . 30404 1 49 . GLY . 30404 1 50 . SER . 30404 1 51 . TRP . 30404 1 52 . ASP . 30404 1 53 . PRO . 30404 1 54 . ILE . 30404 1 55 . THR . 30404 1 56 . ALA . 30404 1 57 . ALA . 30404 1 58 . LEU . 30404 1 59 . SER . 30404 1 60 . GLN . 30404 1 61 . ARG . 30404 1 62 . ALA . 30404 1 63 . MET . 30404 1 64 . ILE . 30404 1 65 . LEU . 30404 1 66 . GLY . 30404 1 67 . LYS . 30404 1 68 . SER . 30404 1 69 . GLY . 30404 1 70 . GLU . 30404 1 71 . LEU . 30404 1 72 . LYS . 30404 1 73 . THR . 30404 1 74 . TRP . 30404 1 75 . GLY . 30404 1 76 . LEU . 30404 1 77 . VAL . 30404 1 78 . LEU . 30404 1 79 . GLY . 30404 1 80 . ALA . 30404 1 81 . LEU . 30404 1 82 . LYS . 30404 1 83 . ALA . 30404 1 84 . ALA . 30404 1 85 . ARG . 30404 1 86 . GLU . 30404 1 87 . GLU . 30404 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 30404 1 . GLU 2 2 30404 1 . ALA 3 3 30404 1 . VAL 4 4 30404 1 . ILE 5 5 30404 1 . LYS 6 6 30404 1 . VAL 7 7 30404 1 . ILE 8 8 30404 1 . SER 9 9 30404 1 . SER 10 10 30404 1 . ALA 11 11 30404 1 . CYS 12 12 30404 1 . LYS 13 13 30404 1 . THR 14 14 30404 1 . TYR 15 15 30404 1 . CYS 16 16 30404 1 . GLY 17 17 30404 1 . LYS 18 18 30404 1 . THR 19 19 30404 1 . SER 20 20 30404 1 . PRO 21 21 30404 1 . SER 22 22 30404 1 . LYS 23 23 30404 1 . LYS 24 24 30404 1 . GLU 25 25 30404 1 . ILE 26 26 30404 1 . GLY 27 27 30404 1 . ALA 28 28 30404 1 . MET 29 29 30404 1 . LEU 30 30 30404 1 . SER 31 31 30404 1 . LEU 32 32 30404 1 . LEU 33 33 30404 1 . GLN 34 34 30404 1 . LYS 35 35 30404 1 . GLU 36 36 30404 1 . GLY 37 37 30404 1 . LEU 38 38 30404 1 . LEU 39 39 30404 1 . MET 40 40 30404 1 . SER 41 41 30404 1 . PRO 42 42 30404 1 . SER 43 43 30404 1 . ASP 44 44 30404 1 . LEU 45 45 30404 1 . TYR 46 46 30404 1 . SER 47 47 30404 1 . PRO 48 48 30404 1 . GLY 49 49 30404 1 . SER 50 50 30404 1 . TRP 51 51 30404 1 . ASP 52 52 30404 1 . PRO 53 53 30404 1 . ILE 54 54 30404 1 . THR 55 55 30404 1 . ALA 56 56 30404 1 . ALA 57 57 30404 1 . LEU 58 58 30404 1 . SER 59 59 30404 1 . GLN 60 60 30404 1 . ARG 61 61 30404 1 . ALA 62 62 30404 1 . MET 63 63 30404 1 . ILE 64 64 30404 1 . LEU 65 65 30404 1 . GLY 66 66 30404 1 . LYS 67 67 30404 1 . SER 68 68 30404 1 . GLY 69 69 30404 1 . GLU 70 70 30404 1 . LEU 71 71 30404 1 . LYS 72 72 30404 1 . THR 73 73 30404 1 . TRP 74 74 30404 1 . GLY 75 75 30404 1 . LEU 76 76 30404 1 . VAL 77 77 30404 1 . LEU 78 78 30404 1 . GLY 79 79 30404 1 . ALA 80 80 30404 1 . LEU 81 81 30404 1 . LYS 82 82 30404 1 . ALA 83 83 30404 1 . ALA 84 84 30404 1 . ARG 85 85 30404 1 . GLU 86 86 30404 1 . GLU 87 87 30404 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30404 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 11888 organism . 'Rous sarcoma virus' RSV-PrC . . Viruses . Alpharetrovirus 'Rous sarcoma virus' 'Prague C' . . . . . . . . . . gag-pol . 30404 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30404 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 30404 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30404 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-95% 15N] Matrix protein, 50 mM sodium phosphate, 2 mM tcep, 2 mM IP6, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Matrix protein' '[U-95% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30404 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30404 1 3 tcep 'natural abundance' . . . . . . 2 . . mM . . . . 30404 1 4 IP6 'natural abundance' . . . . . . 2 . . mM . . . . 30404 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 30404 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.5 mM [U-95% 13C; U-95% 15N] Matrix protein, 50 mM sodium phosphate, 2 mM tcep, 2 mM IP6, 95% H2O/5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Matrix protein' '[U-95% 13C; U-95% 15N]' . . 1 $entity_1 . . 0.5 . . mM . . . . 30404 2 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 30404 2 3 tcep 'natural abundance' . . . . . . 2 . . mM . . . . 30404 2 4 IP6 'natural abundance' . . . . . . 2 . . mM . . . . 30404 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30404 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 30404 1 pH 6 . pH 30404 1 pressure 1 . atm 30404 1 temperature 305 . K 30404 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30404 _Software.ID 1 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 30404 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30404 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30404 _Software.ID 2 _Software.Type . _Software.Name Analysis _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 30404 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30404 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30404 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30404 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30404 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30404 _Software.ID 4 _Software.Type . _Software.Name unio _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Herrmann . . 30404 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30404 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30404 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30404 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceII . 700 . . . 30404 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30404 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30404 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30404 1 3 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30404 1 4 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30404 1 5 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30404 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30404 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 30404 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 30404 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 30404 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 30404 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 30404 1 2 '2D 1H-13C HSQC' . . . 30404 1 3 '3D HNCA' . . . 30404 1 4 '3D HN(CO)CA' . . . 30404 1 5 '3D HNCACB' . . . 30404 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 4.088 0.013 . 1 . . 877 . A 1 SER HA . 30404 1 2 . 1 1 1 1 SER HB2 H 1 3.962 . . 1 . . 879 . A 1 SER HB2 . 30404 1 3 . 1 1 1 1 SER HB3 H 1 3.962 . . 1 . . 891 . A 1 SER HB3 . 30404 1 4 . 1 1 1 1 SER CA C 13 57.341 0.038 . 1 . . 876 . A 1 SER CA . 30404 1 5 . 1 1 1 1 SER CB C 13 64.040 0.0 . 1 . . 878 . A 1 SER CB . 30404 1 6 . 1 1 2 2 GLU HA H 1 4.32 0.01 . 1 . . 789 . A 2 GLU HA . 30404 1 7 . 1 1 2 2 GLU HB2 H 1 2.002 0.001 . 2 . . 880 . A 2 GLU HB2 . 30404 1 8 . 1 1 2 2 GLU HB3 H 1 2.113 0.001 . 2 . . 881 . A 2 GLU HB3 . 30404 1 9 . 1 1 2 2 GLU HG2 H 1 2.341 0.001 . 1 . . 874 . A 2 GLU HG2 . 30404 1 10 . 1 1 2 2 GLU HG3 H 1 2.341 0.001 . 1 . . 875 . A 2 GLU HG3 . 30404 1 11 . 1 1 2 2 GLU C C 13 176.901 . . 1 . . 896 . A 2 GLU C . 30404 1 12 . 1 1 2 2 GLU CA C 13 57.039 0.092 . 1 . . 336 . A 2 GLU CA . 30404 1 13 . 1 1 2 2 GLU CB C 13 30.193 0.014 . 1 . . 337 . A 2 GLU CB . 30404 1 14 . 1 1 2 2 GLU CG C 13 36.342 0.037 . 1 . . 788 . A 2 GLU CG . 30404 1 15 . 1 1 3 3 ALA H H 1 8.668 0.007 . 1 . . 161 . A 3 ALA H . 30404 1 16 . 1 1 3 3 ALA HA H 1 4.176 0.006 . 1 . . 500 . A 3 ALA HA . 30404 1 17 . 1 1 3 3 ALA HB1 H 1 1.493 0.003 . 1 . . 501 . A 3 ALA HB1 . 30404 1 18 . 1 1 3 3 ALA HB2 H 1 1.493 0.003 . 1 . . 501 . A 3 ALA HB2 . 30404 1 19 . 1 1 3 3 ALA HB3 H 1 1.493 0.003 . 1 . . 501 . A 3 ALA HB3 . 30404 1 20 . 1 1 3 3 ALA C C 13 179.455 . . 1 . . 897 . A 3 ALA C . 30404 1 21 . 1 1 3 3 ALA CA C 13 54.734 0.069 . 1 . . 268 . A 3 ALA CA . 30404 1 22 . 1 1 3 3 ALA CB C 13 18.711 0.03 . 1 . . 269 . A 3 ALA CB . 30404 1 23 . 1 1 3 3 ALA N N 15 126.336 0.059 . 1 . . 162 . A 3 ALA N . 30404 1 24 . 1 1 4 4 VAL H H 1 8.34 0.005 . 1 . . 99 . A 4 VAL H . 30404 1 25 . 1 1 4 4 VAL HA H 1 3.964 0.002 . 1 . . 519 . A 4 VAL HA . 30404 1 26 . 1 1 4 4 VAL HB H 1 1.999 0.001 . 1 . . 522 . A 4 VAL HB . 30404 1 27 . 1 1 4 4 VAL HG11 H 1 0.825 0.003 . 2 . . 523 . A 4 VAL HG11 . 30404 1 28 . 1 1 4 4 VAL HG12 H 1 0.825 0.003 . 2 . . 523 . A 4 VAL HG12 . 30404 1 29 . 1 1 4 4 VAL HG13 H 1 0.825 0.003 . 2 . . 523 . A 4 VAL HG13 . 30404 1 30 . 1 1 4 4 VAL HG21 H 1 0.974 0.002 . 2 . . 524 . A 4 VAL HG21 . 30404 1 31 . 1 1 4 4 VAL HG22 H 1 0.974 0.002 . 2 . . 524 . A 4 VAL HG22 . 30404 1 32 . 1 1 4 4 VAL HG23 H 1 0.974 0.002 . 2 . . 524 . A 4 VAL HG23 . 30404 1 33 . 1 1 4 4 VAL C C 13 177.709 . . 1 . . 898 . A 4 VAL C . 30404 1 34 . 1 1 4 4 VAL CA C 13 65.513 0.033 . 1 . . 266 . A 4 VAL CA . 30404 1 35 . 1 1 4 4 VAL CB C 13 31.637 0.03 . 1 . . 267 . A 4 VAL CB . 30404 1 36 . 1 1 4 4 VAL CG1 C 13 20.877 0.041 . 2 . . 520 . A 4 VAL CG1 . 30404 1 37 . 1 1 4 4 VAL CG2 C 13 22.202 0.033 . 2 . . 521 . A 4 VAL CG2 . 30404 1 38 . 1 1 4 4 VAL N N 15 118.924 0.047 . 1 . . 100 . A 4 VAL N . 30404 1 39 . 1 1 5 5 ILE H H 1 7.856 0.004 . 1 . . 56 . A 5 ILE H . 30404 1 40 . 1 1 5 5 ILE HA H 1 3.541 0.004 . 1 . . 451 . A 5 ILE HA . 30404 1 41 . 1 1 5 5 ILE HB H 1 1.946 0.003 . 1 . . 455 . A 5 ILE HB . 30404 1 42 . 1 1 5 5 ILE HG12 H 1 0.96 0.003 . 2 . . 456 . A 5 ILE HG12 . 30404 1 43 . 1 1 5 5 ILE HG13 H 1 1.641 0.005 . 2 . . 457 . A 5 ILE HG13 . 30404 1 44 . 1 1 5 5 ILE HG21 H 1 0.928 0.006 . 1 . . 459 . A 5 ILE HG21 . 30404 1 45 . 1 1 5 5 ILE HG22 H 1 0.928 0.006 . 1 . . 459 . A 5 ILE HG22 . 30404 1 46 . 1 1 5 5 ILE HG23 H 1 0.928 0.006 . 1 . . 459 . A 5 ILE HG23 . 30404 1 47 . 1 1 5 5 ILE HD11 H 1 0.94 0.003 . 1 . . 458 . A 5 ILE HD11 . 30404 1 48 . 1 1 5 5 ILE HD12 H 1 0.94 0.003 . 1 . . 458 . A 5 ILE HD12 . 30404 1 49 . 1 1 5 5 ILE HD13 H 1 0.94 0.003 . 1 . . 458 . A 5 ILE HD13 . 30404 1 50 . 1 1 5 5 ILE C C 13 177.557 . . 1 . . 899 . A 5 ILE C . 30404 1 51 . 1 1 5 5 ILE CA C 13 65.562 0.047 . 1 . . 265 . A 5 ILE CA . 30404 1 52 . 1 1 5 5 ILE CB C 13 37.383 0.049 . 1 . . 264 . A 5 ILE CB . 30404 1 53 . 1 1 5 5 ILE CG1 C 13 30.146 0.044 . 1 . . 452 . A 5 ILE CG1 . 30404 1 54 . 1 1 5 5 ILE CG2 C 13 17.356 0.031 . 1 . . 453 . A 5 ILE CG2 . 30404 1 55 . 1 1 5 5 ILE CD1 C 13 13.362 0.037 . 1 . . 454 . A 5 ILE CD1 . 30404 1 56 . 1 1 5 5 ILE N N 15 118.568 0.022 . 1 . . 57 . A 5 ILE N . 30404 1 57 . 1 1 6 6 LYS H H 1 7.565 0.004 . 1 . . 87 . A 6 LYS H . 30404 1 58 . 1 1 6 6 LYS HA H 1 4.042 0.005 . 1 . . 571 . A 6 LYS HA . 30404 1 59 . 1 1 6 6 LYS HB2 H 1 1.99 0.007 . 1 . . 572 . A 6 LYS HB2 . 30404 1 60 . 1 1 6 6 LYS HB3 H 1 1.99 0.007 . 1 . . 573 . A 6 LYS HB3 . 30404 1 61 . 1 1 6 6 LYS HG3 H 1 1.537 . . 1 . . 985 . A 6 LYS HG3 . 30404 1 62 . 1 1 6 6 LYS HD2 H 1 1.687 . . 1 . . 983 . A 6 LYS HD2 . 30404 1 63 . 1 1 6 6 LYS HD3 H 1 1.687 . . 1 . . 984 . A 6 LYS HD3 . 30404 1 64 . 1 1 6 6 LYS HE2 H 1 2.976 0.004 . 1 . . 894 . A 6 LYS HE2 . 30404 1 65 . 1 1 6 6 LYS HE3 H 1 2.976 0.004 . 1 . . 895 . A 6 LYS HE3 . 30404 1 66 . 1 1 6 6 LYS C C 13 179.100 . . 1 . . 900 . A 6 LYS C . 30404 1 67 . 1 1 6 6 LYS CA C 13 59.711 0.031 . 1 . . 263 . A 6 LYS CA . 30404 1 68 . 1 1 6 6 LYS CB C 13 32.085 0.069 . 1 . . 262 . A 6 LYS CB . 30404 1 69 . 1 1 6 6 LYS CG C 13 25.248 0.036 . 1 . . 574 . A 6 LYS CG . 30404 1 70 . 1 1 6 6 LYS CD C 13 29.260 0.002 . 1 . . 982 . A 6 LYS CD . 30404 1 71 . 1 1 6 6 LYS CE C 13 42.110 0.018 . 1 . . 575 . A 6 LYS CE . 30404 1 72 . 1 1 6 6 LYS N N 15 120.238 0.026 . 1 . . 88 . A 6 LYS N . 30404 1 73 . 1 1 7 7 VAL H H 1 7.832 0.005 . 1 . . 54 . A 7 VAL H . 30404 1 74 . 1 1 7 7 VAL HA H 1 3.74 0.001 . 1 . . 525 . A 7 VAL HA . 30404 1 75 . 1 1 7 7 VAL HB H 1 2.404 0.004 . 1 . . 526 . A 7 VAL HB . 30404 1 76 . 1 1 7 7 VAL HG11 H 1 0.954 0.002 . 2 . . 527 . A 7 VAL HG11 . 30404 1 77 . 1 1 7 7 VAL HG12 H 1 0.954 0.002 . 2 . . 527 . A 7 VAL HG12 . 30404 1 78 . 1 1 7 7 VAL HG13 H 1 0.954 0.002 . 2 . . 527 . A 7 VAL HG13 . 30404 1 79 . 1 1 7 7 VAL HG21 H 1 1.088 0.003 . 2 . . 530 . A 7 VAL HG21 . 30404 1 80 . 1 1 7 7 VAL HG22 H 1 1.088 0.003 . 2 . . 530 . A 7 VAL HG22 . 30404 1 81 . 1 1 7 7 VAL HG23 H 1 1.088 0.003 . 2 . . 530 . A 7 VAL HG23 . 30404 1 82 . 1 1 7 7 VAL C C 13 179.677 . . 1 . . 901 . A 7 VAL C . 30404 1 83 . 1 1 7 7 VAL CA C 13 66.719 0.051 . 1 . . 260 . A 7 VAL CA . 30404 1 84 . 1 1 7 7 VAL CB C 13 31.893 0.032 . 1 . . 261 . A 7 VAL CB . 30404 1 85 . 1 1 7 7 VAL CG1 C 13 21.207 0.026 . 2 . . 528 . A 7 VAL CG1 . 30404 1 86 . 1 1 7 7 VAL CG2 C 13 22.593 0.031 . 2 . . 529 . A 7 VAL CG2 . 30404 1 87 . 1 1 7 7 VAL N N 15 121.255 0.052 . 1 . . 55 . A 7 VAL N . 30404 1 88 . 1 1 8 8 ILE H H 1 8.514 0.003 . 1 . . 119 . A 8 ILE H . 30404 1 89 . 1 1 8 8 ILE HA H 1 3.732 0.002 . 1 . . 460 . A 8 ILE HA . 30404 1 90 . 1 1 8 8 ILE HB H 1 1.932 0.003 . 1 . . 463 . A 8 ILE HB . 30404 1 91 . 1 1 8 8 ILE HG12 H 1 1.176 0.004 . 2 . . 464 . A 8 ILE HG12 . 30404 1 92 . 1 1 8 8 ILE HG13 H 1 1.952 0.003 . 2 . . 466 . A 8 ILE HG13 . 30404 1 93 . 1 1 8 8 ILE HG21 H 1 0.929 0.003 . 1 . . 467 . A 8 ILE HG21 . 30404 1 94 . 1 1 8 8 ILE HG22 H 1 0.929 0.003 . 1 . . 467 . A 8 ILE HG22 . 30404 1 95 . 1 1 8 8 ILE HG23 H 1 0.929 0.003 . 1 . . 467 . A 8 ILE HG23 . 30404 1 96 . 1 1 8 8 ILE HD11 H 1 0.765 0.005 . 1 . . 468 . A 8 ILE HD11 . 30404 1 97 . 1 1 8 8 ILE HD12 H 1 0.765 0.005 . 1 . . 468 . A 8 ILE HD12 . 30404 1 98 . 1 1 8 8 ILE HD13 H 1 0.765 0.005 . 1 . . 468 . A 8 ILE HD13 . 30404 1 99 . 1 1 8 8 ILE C C 13 178.166 . . 1 . . 902 . A 8 ILE C . 30404 1 100 . 1 1 8 8 ILE CA C 13 65.221 0.042 . 1 . . 258 . A 8 ILE CA . 30404 1 101 . 1 1 8 8 ILE CB C 13 37.880 0.051 . 1 . . 259 . A 8 ILE CB . 30404 1 102 . 1 1 8 8 ILE CG1 C 13 28.957 0.036 . 1 . . 461 . A 8 ILE CG1 . 30404 1 103 . 1 1 8 8 ILE CG2 C 13 19.708 0.047 . 1 . . 465 . A 8 ILE CG2 . 30404 1 104 . 1 1 8 8 ILE CD1 C 13 13.768 0.042 . 1 . . 462 . A 8 ILE CD1 . 30404 1 105 . 1 1 8 8 ILE N N 15 119.974 0.028 . 1 . . 120 . A 8 ILE N . 30404 1 106 . 1 1 9 9 SER H H 1 8.875 0.005 . 1 . . 127 . A 9 SER H . 30404 1 107 . 1 1 9 9 SER HA H 1 3.933 . . 1 . . 662 . A 9 SER HA . 30404 1 108 . 1 1 9 9 SER HB2 H 1 3.943 . . 2 . . 892 . A 9 SER HB2 . 30404 1 109 . 1 1 9 9 SER HB3 H 1 3.999 . . 2 . . 893 . A 9 SER HB3 . 30404 1 110 . 1 1 9 9 SER C C 13 176.913 . . 1 . . 903 . A 9 SER C . 30404 1 111 . 1 1 9 9 SER CA C 13 62.421 0.035 . 1 . . 256 . A 9 SER CA . 30404 1 112 . 1 1 9 9 SER CB C 13 62.861 0.053 . 1 . . 257 . A 9 SER CB . 30404 1 113 . 1 1 9 9 SER N N 15 115.534 0.035 . 1 . . 128 . A 9 SER N . 30404 1 114 . 1 1 10 10 SER H H 1 8.26 0.006 . 1 . . 141 . A 10 SER H . 30404 1 115 . 1 1 10 10 SER HA H 1 4.217 0.005 . 1 . . 661 . A 10 SER HA . 30404 1 116 . 1 1 10 10 SER HB2 H 1 3.962 0.001 . 2 . . 659 . A 10 SER HB2 . 30404 1 117 . 1 1 10 10 SER HB3 H 1 4.069 0.001 . 2 . . 660 . A 10 SER HB3 . 30404 1 118 . 1 1 10 10 SER C C 13 176.850 . . 1 . . 904 . A 10 SER C . 30404 1 119 . 1 1 10 10 SER CA C 13 62.165 0.049 . 1 . . 254 . A 10 SER CA . 30404 1 120 . 1 1 10 10 SER CB C 13 62.786 0.043 . 1 . . 255 . A 10 SER CB . 30404 1 121 . 1 1 10 10 SER N N 15 115.552 0.034 . 1 . . 142 . A 10 SER N . 30404 1 122 . 1 1 11 11 ALA H H 1 7.995 0.006 . 1 . . 42 . A 11 ALA H . 30404 1 123 . 1 1 11 11 ALA HA H 1 4.323 0.003 . 1 . . 502 . A 11 ALA HA . 30404 1 124 . 1 1 11 11 ALA HB1 H 1 1.568 0.003 . 1 . . 503 . A 11 ALA HB1 . 30404 1 125 . 1 1 11 11 ALA HB2 H 1 1.568 0.003 . 1 . . 503 . A 11 ALA HB2 . 30404 1 126 . 1 1 11 11 ALA HB3 H 1 1.568 0.003 . 1 . . 503 . A 11 ALA HB3 . 30404 1 127 . 1 1 11 11 ALA C C 13 180.627 . . 1 . . 905 . A 11 ALA C . 30404 1 128 . 1 1 11 11 ALA CA C 13 55.368 0.036 . 1 . . 252 . A 11 ALA CA . 30404 1 129 . 1 1 11 11 ALA CB C 13 17.012 0.046 . 1 . . 253 . A 11 ALA CB . 30404 1 130 . 1 1 11 11 ALA N N 15 124.684 0.039 . 1 . . 43 . A 11 ALA N . 30404 1 131 . 1 1 12 12 CYS H H 1 8.67 0.005 . 1 . . 105 . A 12 CYS H . 30404 1 132 . 1 1 12 12 CYS HA H 1 4.212 0.002 . 1 . . 831 . A 12 CYS HA . 30404 1 133 . 1 1 12 12 CYS HB2 H 1 2.992 0.005 . 2 . . 832 . A 12 CYS HB2 . 30404 1 134 . 1 1 12 12 CYS HB3 H 1 3.179 0.004 . 2 . . 833 . A 12 CYS HB3 . 30404 1 135 . 1 1 12 12 CYS C C 13 177.025 . . 1 . . 906 . A 12 CYS C . 30404 1 136 . 1 1 12 12 CYS CA C 13 64.244 0.051 . 1 . . 251 . A 12 CYS CA . 30404 1 137 . 1 1 12 12 CYS CB C 13 27.412 0.042 . 1 . . 250 . A 12 CYS CB . 30404 1 138 . 1 1 12 12 CYS N N 15 117.059 0.049 . 1 . . 106 . A 12 CYS N . 30404 1 139 . 1 1 13 13 LYS H H 1 8.631 0.004 . 1 . . 7 . A 13 LYS H . 30404 1 140 . 1 1 13 13 LYS HA H 1 3.989 0.003 . 1 . . 577 . A 13 LYS HA . 30404 1 141 . 1 1 13 13 LYS HB2 H 1 1.953 0.001 . 2 . . 578 . A 13 LYS HB2 . 30404 1 142 . 1 1 13 13 LYS HB3 H 1 1.876 0.002 . 2 . . 579 . A 13 LYS HB3 . 30404 1 143 . 1 1 13 13 LYS HG2 H 1 1.432 0.005 . 2 . . 580 . A 13 LYS HG2 . 30404 1 144 . 1 1 13 13 LYS HG3 H 1 1.653 0.004 . 2 . . 582 . A 13 LYS HG3 . 30404 1 145 . 1 1 13 13 LYS HD2 H 1 1.636 0.01 . 1 . . 869 . A 13 LYS HD2 . 30404 1 146 . 1 1 13 13 LYS HD3 H 1 1.636 0.01 . 1 . . 870 . A 13 LYS HD3 . 30404 1 147 . 1 1 13 13 LYS HE2 H 1 2.926 0.005 . 1 . . 872 . A 13 LYS HE2 . 30404 1 148 . 1 1 13 13 LYS HE3 H 1 2.926 0.005 . 1 . . 873 . A 13 LYS HE3 . 30404 1 149 . 1 1 13 13 LYS C C 13 179.631 . . 1 . . 907 . A 13 LYS C . 30404 1 150 . 1 1 13 13 LYS CA C 13 60.285 0.053 . 1 . . 323 . A 13 LYS CA . 30404 1 151 . 1 1 13 13 LYS CB C 13 32.087 0.066 . 1 . . 324 . A 13 LYS CB . 30404 1 152 . 1 1 13 13 LYS CG C 13 25.682 0.055 . 1 . . 581 . A 13 LYS CG . 30404 1 153 . 1 1 13 13 LYS CD C 13 29.269 0.08 . 1 . . 868 . A 13 LYS CD . 30404 1 154 . 1 1 13 13 LYS CE C 13 42.102 0.009 . 1 . . 871 . A 13 LYS CE . 30404 1 155 . 1 1 13 13 LYS N N 15 121.764 0.048 . 1 . . 8 . A 13 LYS N . 30404 1 156 . 1 1 14 14 THR H H 1 7.748 0.004 . 1 . . 95 . A 14 THR H . 30404 1 157 . 1 1 14 14 THR HA H 1 3.842 0.001 . 1 . . 692 . A 14 THR HA . 30404 1 158 . 1 1 14 14 THR HB H 1 3.993 0.002 . 1 . . 693 . A 14 THR HB . 30404 1 159 . 1 1 14 14 THR HG21 H 1 0.762 0.003 . 1 . . 696 . A 14 THR HG21 . 30404 1 160 . 1 1 14 14 THR HG22 H 1 0.762 0.003 . 1 . . 696 . A 14 THR HG22 . 30404 1 161 . 1 1 14 14 THR HG23 H 1 0.762 0.003 . 1 . . 696 . A 14 THR HG23 . 30404 1 162 . 1 1 14 14 THR C C 13 175.499 . . 1 . . 908 . A 14 THR C . 30404 1 163 . 1 1 14 14 THR CA C 13 66.208 0.04 . 1 . . 325 . A 14 THR CA . 30404 1 164 . 1 1 14 14 THR CB C 13 69.143 0.039 . 1 . . 326 . A 14 THR CB . 30404 1 165 . 1 1 14 14 THR CG2 C 13 21.179 0.013 . 1 . . 695 . A 14 THR CG2 . 30404 1 166 . 1 1 14 14 THR N N 15 114.650 0.023 . 1 . . 96 . A 14 THR N . 30404 1 167 . 1 1 15 15 TYR H H 1 7.97 0.005 . 1 . . 29 . A 15 TYR H . 30404 1 168 . 1 1 15 15 TYR HA H 1 4.549 0.002 . 1 . . 542 . A 15 TYR HA . 30404 1 169 . 1 1 15 15 TYR HB2 H 1 2.935 0.003 . 2 . . 540 . A 15 TYR HB2 . 30404 1 170 . 1 1 15 15 TYR HB3 H 1 3.111 0.011 . 2 . . 541 . A 15 TYR HB3 . 30404 1 171 . 1 1 15 15 TYR HD1 H 1 7.24 0.001 . 1 . . 544 . A 15 TYR HD1 . 30404 1 172 . 1 1 15 15 TYR HD2 H 1 7.24 0.001 . 1 . . 544 . A 15 TYR HD2 . 30404 1 173 . 1 1 15 15 TYR HE1 H 1 6.761 . . 1 . . 546 . A 15 TYR HE1 . 30404 1 174 . 1 1 15 15 TYR HE2 H 1 6.761 . . 1 . . 546 . A 15 TYR HE2 . 30404 1 175 . 1 1 15 15 TYR C C 13 177.215 . . 1 . . 909 . A 15 TYR C . 30404 1 176 . 1 1 15 15 TYR CA C 13 60.781 0.045 . 1 . . 310 . A 15 TYR CA . 30404 1 177 . 1 1 15 15 TYR CB C 13 39.968 0.043 . 1 . . 311 . A 15 TYR CB . 30404 1 178 . 1 1 15 15 TYR CD1 C 13 133.517 . . 1 . . 543 . A 15 TYR CD1 . 30404 1 179 . 1 1 15 15 TYR CD2 C 13 133.517 . . 1 . . 543 . A 15 TYR CD2 . 30404 1 180 . 1 1 15 15 TYR CE1 C 13 117.904 . . 1 . . 545 . A 15 TYR CE1 . 30404 1 181 . 1 1 15 15 TYR CE2 C 13 117.904 . . 1 . . 545 . A 15 TYR CE2 . 30404 1 182 . 1 1 15 15 TYR N N 15 118.128 0.044 . 1 . . 30 . A 15 TYR N . 30404 1 183 . 1 1 16 16 CYS H H 1 9.041 0.004 . 1 . . 107 . A 16 CYS H . 30404 1 184 . 1 1 16 16 CYS HA H 1 4.351 0.003 . 1 . . 834 . A 16 CYS HA . 30404 1 185 . 1 1 16 16 CYS HB2 H 1 2.858 0.003 . 2 . . 835 . A 16 CYS HB2 . 30404 1 186 . 1 1 16 16 CYS HB3 H 1 3.068 0.002 . 2 . . 836 . A 16 CYS HB3 . 30404 1 187 . 1 1 16 16 CYS C C 13 176.276 . . 1 . . 910 . A 16 CYS C . 30404 1 188 . 1 1 16 16 CYS CA C 13 59.071 0.029 . 1 . . 312 . A 16 CYS CA . 30404 1 189 . 1 1 16 16 CYS CB C 13 27.960 0.036 . 1 . . 313 . A 16 CYS CB . 30404 1 190 . 1 1 16 16 CYS N N 15 116.004 0.026 . 1 . . 108 . A 16 CYS N . 30404 1 191 . 1 1 17 17 GLY H H 1 7.728 0.005 . 1 . . 50 . A 17 GLY H . 30404 1 192 . 1 1 17 17 GLY HA2 H 1 3.852 0.002 . 2 . . 772 . A 17 GLY HA2 . 30404 1 193 . 1 1 17 17 GLY HA3 H 1 3.973 0.002 . 2 . . 773 . A 17 GLY HA3 . 30404 1 194 . 1 1 17 17 GLY C C 13 176.338 . . 1 . . 911 . A 17 GLY C . 30404 1 195 . 1 1 17 17 GLY CA C 13 46.693 0.036 . 1 . . 314 . A 17 GLY CA . 30404 1 196 . 1 1 17 17 GLY N N 15 109.203 0.043 . 1 . . 51 . A 17 GLY N . 30404 1 197 . 1 1 18 18 LYS H H 1 8.924 0.004 . 1 . . 316 . A 18 LYS H . 30404 1 198 . 1 1 18 18 LYS HA H 1 4.203 0.005 . 1 . . 593 . A 18 LYS HA . 30404 1 199 . 1 1 18 18 LYS HB2 H 1 1.878 0.002 . 1 . . 591 . A 18 LYS HB2 . 30404 1 200 . 1 1 18 18 LYS HB3 H 1 1.878 0.002 . 1 . . 592 . A 18 LYS HB3 . 30404 1 201 . 1 1 18 18 LYS HG2 H 1 1.523 0.002 . 1 . . 596 . A 18 LYS HG2 . 30404 1 202 . 1 1 18 18 LYS HG3 H 1 1.523 0.002 . 1 . . 597 . A 18 LYS HG3 . 30404 1 203 . 1 1 18 18 LYS HD2 H 1 1.702 . . 1 . . 598 . A 18 LYS HD2 . 30404 1 204 . 1 1 18 18 LYS HD3 H 1 1.702 . . 1 . . 599 . A 18 LYS HD3 . 30404 1 205 . 1 1 18 18 LYS HE2 H 1 2.992 0.014 . 1 . . 600 . A 18 LYS HE2 . 30404 1 206 . 1 1 18 18 LYS HE3 H 1 2.992 0.014 . 1 . . 601 . A 18 LYS HE3 . 30404 1 207 . 1 1 18 18 LYS C C 13 177.302 . . 1 . . 912 . A 18 LYS C . 30404 1 208 . 1 1 18 18 LYS CA C 13 58.091 0.051 . 1 . . 317 . A 18 LYS CA . 30404 1 209 . 1 1 18 18 LYS CB C 13 32.152 0.028 . 1 . . 318 . A 18 LYS CB . 30404 1 210 . 1 1 18 18 LYS CG C 13 24.879 0.03 . 1 . . 594 . A 18 LYS CG . 30404 1 211 . 1 1 18 18 LYS CD C 13 28.890 0.005 . 1 . . 595 . A 18 LYS CD . 30404 1 212 . 1 1 18 18 LYS CE C 13 42.021 0.078 . 1 . . 865 . A 18 LYS CE . 30404 1 213 . 1 1 18 18 LYS N N 15 125.564 0.057 . 1 . . 315 . A 18 LYS N . 30404 1 214 . 1 1 19 19 THR H H 1 7.573 0.003 . 1 . . 89 . A 19 THR H . 30404 1 215 . 1 1 19 19 THR HA H 1 4.376 0.001 . 1 . . 697 . A 19 THR HA . 30404 1 216 . 1 1 19 19 THR HB H 1 4.385 0.006 . 1 . . 698 . A 19 THR HB . 30404 1 217 . 1 1 19 19 THR HG21 H 1 1.198 0.002 . 1 . . 583 . A 19 THR HG21 . 30404 1 218 . 1 1 19 19 THR HG22 H 1 1.198 0.002 . 1 . . 583 . A 19 THR HG22 . 30404 1 219 . 1 1 19 19 THR HG23 H 1 1.198 0.002 . 1 . . 583 . A 19 THR HG23 . 30404 1 220 . 1 1 19 19 THR C C 13 173.411 . . 1 . . 913 . A 19 THR C . 30404 1 221 . 1 1 19 19 THR CA C 13 61.113 0.057 . 1 . . 320 . A 19 THR CA . 30404 1 222 . 1 1 19 19 THR CB C 13 68.890 0.048 . 1 . . 319 . A 19 THR CB . 30404 1 223 . 1 1 19 19 THR CG2 C 13 22.145 0.024 . 1 . . 694 . A 19 THR CG2 . 30404 1 224 . 1 1 19 19 THR N N 15 109.554 0.008 . 1 . . 90 . A 19 THR N . 30404 1 225 . 1 1 20 20 SER H H 1 7.465 0.007 . 1 . . 80 . A 20 SER H . 30404 1 226 . 1 1 20 20 SER HA H 1 4.21 0.005 . 1 . . 664 . A 20 SER HA . 30404 1 227 . 1 1 20 20 SER HB2 H 1 3.735 0.002 . 2 . . 665 . A 20 SER HB2 . 30404 1 228 . 1 1 20 20 SER HB3 H 1 3.765 0.002 . 2 . . 667 . A 20 SER HB3 . 30404 1 229 . 1 1 20 20 SER CA C 13 57.181 0.028 . 1 . . 321 . A 20 SER CA . 30404 1 230 . 1 1 20 20 SER CB C 13 64.084 0.037 . 1 . . 322 . A 20 SER CB . 30404 1 231 . 1 1 20 20 SER N N 15 115.789 0.037 . 1 . . 81 . A 20 SER N . 30404 1 232 . 1 1 21 21 PRO HA H 1 4.745 0.0 . 1 . . 719 . A 21 PRO HA . 30404 1 233 . 1 1 21 21 PRO HB2 H 1 1.891 0.003 . 2 . . 715 . A 21 PRO HB2 . 30404 1 234 . 1 1 21 21 PRO HB3 H 1 2.437 0.005 . 2 . . 716 . A 21 PRO HB3 . 30404 1 235 . 1 1 21 21 PRO HG2 H 1 1.992 0.005 . 2 . . 717 . A 21 PRO HG2 . 30404 1 236 . 1 1 21 21 PRO HG3 H 1 2.073 0.004 . 2 . . 718 . A 21 PRO HG3 . 30404 1 237 . 1 1 21 21 PRO HD2 H 1 3.914 0.002 . 2 . . 712 . A 21 PRO HD2 . 30404 1 238 . 1 1 21 21 PRO HD3 H 1 3.716 0.003 . 2 . . 713 . A 21 PRO HD3 . 30404 1 239 . 1 1 21 21 PRO C C 13 175.836 . . 1 . . 914 . A 21 PRO C . 30404 1 240 . 1 1 21 21 PRO CA C 13 62.519 0.063 . 1 . . 309 . A 21 PRO CA . 30404 1 241 . 1 1 21 21 PRO CB C 13 32.710 0.05 . 1 . . 308 . A 21 PRO CB . 30404 1 242 . 1 1 21 21 PRO CG C 13 27.785 0.042 . 1 . . 714 . A 21 PRO CG . 30404 1 243 . 1 1 21 21 PRO CD C 13 51.219 0.032 . 1 . . 711 . A 21 PRO CD . 30404 1 244 . 1 1 22 22 SER H H 1 8.829 0.004 . 1 . . 62 . A 22 SER H . 30404 1 245 . 1 1 22 22 SER HA H 1 4.543 0.005 . 1 . . 668 . A 22 SER HA . 30404 1 246 . 1 1 22 22 SER HB2 H 1 4.046 0.004 . 2 . . 669 . A 22 SER HB2 . 30404 1 247 . 1 1 22 22 SER HB3 H 1 4.495 0.004 . 2 . . 670 . A 22 SER HB3 . 30404 1 248 . 1 1 22 22 SER C C 13 175.442 . . 1 . . 915 . A 22 SER C . 30404 1 249 . 1 1 22 22 SER CA C 13 56.969 0.04 . 1 . . 306 . A 22 SER CA . 30404 1 250 . 1 1 22 22 SER CB C 13 65.766 0.043 . 1 . . 307 . A 22 SER CB . 30404 1 251 . 1 1 22 22 SER N N 15 118.223 0.025 . 1 . . 63 . A 22 SER N . 30404 1 252 . 1 1 23 23 LYS H H 1 9.365 0.005 . 1 . . 133 . A 23 LYS H . 30404 1 253 . 1 1 23 23 LYS HA H 1 3.844 0.002 . 1 . . 602 . A 23 LYS HA . 30404 1 254 . 1 1 23 23 LYS HB2 H 1 1.846 0.002 . 2 . . 607 . A 23 LYS HB2 . 30404 1 255 . 1 1 23 23 LYS HB3 H 1 1.997 0.002 . 2 . . 608 . A 23 LYS HB3 . 30404 1 256 . 1 1 23 23 LYS HG2 H 1 1.322 0.007 . 2 . . 609 . A 23 LYS HG2 . 30404 1 257 . 1 1 23 23 LYS HG3 H 1 1.732 0.006 . 2 . . 610 . A 23 LYS HG3 . 30404 1 258 . 1 1 23 23 LYS HD2 H 1 1.796 0.001 . 1 . . 611 . A 23 LYS HD2 . 30404 1 259 . 1 1 23 23 LYS HD3 H 1 1.796 0.001 . 1 . . 612 . A 23 LYS HD3 . 30404 1 260 . 1 1 23 23 LYS HE2 H 1 2.978 0.002 . 2 . . 866 . A 23 LYS HE2 . 30404 1 261 . 1 1 23 23 LYS HE3 H 1 2.978 0.002 . 2 . . 867 . A 23 LYS HE3 . 30404 1 262 . 1 1 23 23 LYS C C 13 180.105 . . 1 . . 916 . A 23 LYS C . 30404 1 263 . 1 1 23 23 LYS CA C 13 61.329 0.049 . 1 . . 304 . A 23 LYS CA . 30404 1 264 . 1 1 23 23 LYS CB C 13 31.722 0.062 . 1 . . 305 . A 23 LYS CB . 30404 1 265 . 1 1 23 23 LYS CG C 13 26.267 0.076 . 1 . . 605 . A 23 LYS CG . 30404 1 266 . 1 1 23 23 LYS CD C 13 29.465 0.055 . 1 . . 606 . A 23 LYS CD . 30404 1 267 . 1 1 23 23 LYS CE C 13 41.640 0.025 . 1 . . 604 . A 23 LYS CE . 30404 1 268 . 1 1 23 23 LYS N N 15 122.098 0.02 . 1 . . 134 . A 23 LYS N . 30404 1 269 . 1 1 24 24 LYS H H 1 8.336 0.004 . 1 . . 129 . A 24 LYS H . 30404 1 270 . 1 1 24 24 LYS HA H 1 4.067 0.007 . 1 . . 603 . A 24 LYS HA . 30404 1 271 . 1 1 24 24 LYS HB2 H 1 1.806 0.002 . 2 . . 616 . A 24 LYS HB2 . 30404 1 272 . 1 1 24 24 LYS HB3 H 1 1.846 0.004 . 2 . . 617 . A 24 LYS HB3 . 30404 1 273 . 1 1 24 24 LYS HG2 H 1 1.452 0.002 . 1 . . 882 . A 24 LYS HG2 . 30404 1 274 . 1 1 24 24 LYS HG3 H 1 1.452 0.002 . 1 . . 977 . A 24 LYS HG3 . 30404 1 275 . 1 1 24 24 LYS HE2 H 1 2.981 . . 1 . . 980 . A 24 LYS HE2 . 30404 1 276 . 1 1 24 24 LYS HE3 H 1 2.981 . . 1 . . 981 . A 24 LYS HE3 . 30404 1 277 . 1 1 24 24 LYS C C 13 179.898 . . 1 . . 917 . A 24 LYS C . 30404 1 278 . 1 1 24 24 LYS CA C 13 59.681 0.037 . 1 . . 303 . A 24 LYS CA . 30404 1 279 . 1 1 24 24 LYS CB C 13 32.321 0.051 . 1 . . 302 . A 24 LYS CB . 30404 1 280 . 1 1 24 24 LYS CG C 13 25.271 0.063 . 1 . . 614 . A 24 LYS CG . 30404 1 281 . 1 1 24 24 LYS CD C 13 29.162 0.021 . 1 . . 615 . A 24 LYS CD . 30404 1 282 . 1 1 24 24 LYS CE C 13 42.053 0.066 . 1 . . 613 . A 24 LYS CE . 30404 1 283 . 1 1 24 24 LYS N N 15 119.922 0.019 . 1 . . 130 . A 24 LYS N . 30404 1 284 . 1 1 25 25 GLU H H 1 7.914 0.004 . 1 . . 72 . A 25 GLU H . 30404 1 285 . 1 1 25 25 GLU HA H 1 4.056 . . 1 . . 792 . A 25 GLU HA . 30404 1 286 . 1 1 25 25 GLU HB2 H 1 2.102 0.005 . 2 . . 790 . A 25 GLU HB2 . 30404 1 287 . 1 1 25 25 GLU HB3 H 1 2.425 0.005 . 2 . . 791 . A 25 GLU HB3 . 30404 1 288 . 1 1 25 25 GLU HG2 H 1 2.295 0.002 . 2 . . 794 . A 25 GLU HG2 . 30404 1 289 . 1 1 25 25 GLU HG3 H 1 2.295 0.002 . 2 . . 795 . A 25 GLU HG3 . 30404 1 290 . 1 1 25 25 GLU C C 13 180.762 . . 1 . . 918 . A 25 GLU C . 30404 1 291 . 1 1 25 25 GLU CA C 13 59.443 0.025 . 1 . . 300 . A 25 GLU CA . 30404 1 292 . 1 1 25 25 GLU CB C 13 29.445 0.036 . 1 . . 301 . A 25 GLU CB . 30404 1 293 . 1 1 25 25 GLU CG C 13 37.508 0.057 . 1 . . 793 . A 25 GLU CG . 30404 1 294 . 1 1 25 25 GLU N N 15 121.632 0.071 . 1 . . 73 . A 25 GLU N . 30404 1 295 . 1 1 26 26 ILE H H 1 8.689 0.003 . 1 . . 163 . A 26 ILE H . 30404 1 296 . 1 1 26 26 ILE HA H 1 3.524 0.003 . 1 . . 473 . A 26 ILE HA . 30404 1 297 . 1 1 26 26 ILE HB H 1 1.895 0.002 . 1 . . 477 . A 26 ILE HB . 30404 1 298 . 1 1 26 26 ILE HG12 H 1 0.604 0.004 . 2 . . 478 . A 26 ILE HG12 . 30404 1 299 . 1 1 26 26 ILE HG13 H 1 1.836 0.002 . 2 . . 479 . A 26 ILE HG13 . 30404 1 300 . 1 1 26 26 ILE HG21 H 1 0.896 0.003 . 1 . . 480 . A 26 ILE HG21 . 30404 1 301 . 1 1 26 26 ILE HG22 H 1 0.896 0.003 . 1 . . 480 . A 26 ILE HG22 . 30404 1 302 . 1 1 26 26 ILE HG23 H 1 0.896 0.003 . 1 . . 480 . A 26 ILE HG23 . 30404 1 303 . 1 1 26 26 ILE HD11 H 1 0.767 0.004 . 1 . . 481 . A 26 ILE HD11 . 30404 1 304 . 1 1 26 26 ILE HD12 H 1 0.767 0.004 . 1 . . 481 . A 26 ILE HD12 . 30404 1 305 . 1 1 26 26 ILE HD13 H 1 0.767 0.004 . 1 . . 481 . A 26 ILE HD13 . 30404 1 306 . 1 1 26 26 ILE C C 13 178.075 . . 1 . . 919 . A 26 ILE C . 30404 1 307 . 1 1 26 26 ILE CA C 13 66.364 0.043 . 1 . . 299 . A 26 ILE CA . 30404 1 308 . 1 1 26 26 ILE CB C 13 38.182 0.025 . 1 . . 298 . A 26 ILE CB . 30404 1 309 . 1 1 26 26 ILE CG1 C 13 29.601 0.047 . 1 . . 474 . A 26 ILE CG1 . 30404 1 310 . 1 1 26 26 ILE CG2 C 13 18.374 0.047 . 1 . . 475 . A 26 ILE CG2 . 30404 1 311 . 1 1 26 26 ILE CD1 C 13 13.686 0.085 . 1 . . 476 . A 26 ILE CD1 . 30404 1 312 . 1 1 26 26 ILE N N 15 122.500 0.03 . 1 . . 164 . A 26 ILE N . 30404 1 313 . 1 1 27 27 GLY H H 1 8.892 0.004 . 1 . . 101 . A 27 GLY H . 30404 1 314 . 1 1 27 27 GLY HA2 H 1 3.74 0.002 . 2 . . 774 . A 27 GLY HA2 . 30404 1 315 . 1 1 27 27 GLY HA3 H 1 4.059 0.0 . 2 . . 775 . A 27 GLY HA3 . 30404 1 316 . 1 1 27 27 GLY C C 13 176.311 . . 1 . . 920 . A 27 GLY C . 30404 1 317 . 1 1 27 27 GLY CA C 13 47.600 0.019 . 1 . . 297 . A 27 GLY CA . 30404 1 318 . 1 1 27 27 GLY N N 15 107.562 0.046 . 1 . . 102 . A 27 GLY N . 30404 1 319 . 1 1 28 28 ALA H H 1 8.278 0.004 . 1 . . 123 . A 28 ALA H . 30404 1 320 . 1 1 28 28 ALA HA H 1 4.24 0.003 . 1 . . 505 . A 28 ALA HA . 30404 1 321 . 1 1 28 28 ALA HB1 H 1 1.553 0.002 . 1 . . 504 . A 28 ALA HB1 . 30404 1 322 . 1 1 28 28 ALA HB2 H 1 1.553 0.002 . 1 . . 504 . A 28 ALA HB2 . 30404 1 323 . 1 1 28 28 ALA HB3 H 1 1.553 0.002 . 1 . . 504 . A 28 ALA HB3 . 30404 1 324 . 1 1 28 28 ALA C C 13 180.741 . . 1 . . 921 . A 28 ALA C . 30404 1 325 . 1 1 28 28 ALA CA C 13 55.082 0.039 . 1 . . 295 . A 28 ALA CA . 30404 1 326 . 1 1 28 28 ALA CB C 13 18.139 0.042 . 1 . . 296 . A 28 ALA CB . 30404 1 327 . 1 1 28 28 ALA N N 15 125.004 0.048 . 1 . . 124 . A 28 ALA N . 30404 1 328 . 1 1 29 29 MET H H 1 7.838 0.004 . 1 . . 116 . A 29 MET H . 30404 1 329 . 1 1 29 29 MET HA H 1 3.887 0.002 . 1 . . 748 . A 29 MET HA . 30404 1 330 . 1 1 29 29 MET HB2 H 1 2.344 0.003 . 2 . . 749 . A 29 MET HB2 . 30404 1 331 . 1 1 29 29 MET HB3 H 1 2.591 0.007 . 2 . . 750 . A 29 MET HB3 . 30404 1 332 . 1 1 29 29 MET HG2 H 1 2.267 0.002 . 2 . . 752 . A 29 MET HG2 . 30404 1 333 . 1 1 29 29 MET HG3 H 1 2.664 0.002 . 2 . . 753 . A 29 MET HG3 . 30404 1 334 . 1 1 29 29 MET HE1 H 1 2.135 0.005 . 1 . . 754 . A 29 MET HE1 . 30404 1 335 . 1 1 29 29 MET HE2 H 1 2.135 0.005 . 1 . . 754 . A 29 MET HE2 . 30404 1 336 . 1 1 29 29 MET HE3 H 1 2.135 0.005 . 1 . . 754 . A 29 MET HE3 . 30404 1 337 . 1 1 29 29 MET C C 13 177.243 . . 1 . . 922 . A 29 MET C . 30404 1 338 . 1 1 29 29 MET CA C 13 59.567 0.06 . 1 . . 271 . A 29 MET CA . 30404 1 339 . 1 1 29 29 MET CB C 13 32.743 0.04 . 1 . . 272 . A 29 MET CB . 30404 1 340 . 1 1 29 29 MET CG C 13 30.993 0.043 . 1 . . 751 . A 29 MET CG . 30404 1 341 . 1 1 29 29 MET CE C 13 16.838 0.051 . 1 . . 755 . A 29 MET CE . 30404 1 342 . 1 1 29 29 MET N N 15 119.848 0.016 . 1 . . 117 . A 29 MET N . 30404 1 343 . 1 1 30 30 LEU H H 1 8.627 0.003 . 1 . . 44 . A 30 LEU H . 30404 1 344 . 1 1 30 30 LEU HA H 1 3.863 0.002 . 1 . . 349 . A 30 LEU HA . 30404 1 345 . 1 1 30 30 LEU HB2 H 1 1.578 0.001 . 2 . . 353 . A 30 LEU HB2 . 30404 1 346 . 1 1 30 30 LEU HB3 H 1 1.881 0.003 . 2 . . 354 . A 30 LEU HB3 . 30404 1 347 . 1 1 30 30 LEU HG H 1 1.811 0.004 . 1 . . 355 . A 30 LEU HG . 30404 1 348 . 1 1 30 30 LEU HD11 H 1 0.791 0.001 . 2 . . 356 . A 30 LEU HD11 . 30404 1 349 . 1 1 30 30 LEU HD12 H 1 0.791 0.001 . 2 . . 356 . A 30 LEU HD12 . 30404 1 350 . 1 1 30 30 LEU HD13 H 1 0.791 0.001 . 2 . . 356 . A 30 LEU HD13 . 30404 1 351 . 1 1 30 30 LEU HD21 H 1 0.821 0.003 . 2 . . 357 . A 30 LEU HD21 . 30404 1 352 . 1 1 30 30 LEU HD22 H 1 0.821 0.003 . 2 . . 357 . A 30 LEU HD22 . 30404 1 353 . 1 1 30 30 LEU HD23 H 1 0.821 0.003 . 2 . . 357 . A 30 LEU HD23 . 30404 1 354 . 1 1 30 30 LEU C C 13 179.090 . . 1 . . 923 . A 30 LEU C . 30404 1 355 . 1 1 30 30 LEU CA C 13 58.701 0.042 . 1 . . 270 . A 30 LEU CA . 30404 1 356 . 1 1 30 30 LEU CB C 13 41.818 0.034 . 1 . . 294 . A 30 LEU CB . 30404 1 357 . 1 1 30 30 LEU CG C 13 27.102 0.089 . 1 . . 350 . A 30 LEU CG . 30404 1 358 . 1 1 30 30 LEU CD1 C 13 24.100 0.02 . 2 . . 351 . A 30 LEU CD1 . 30404 1 359 . 1 1 30 30 LEU CD2 C 13 25.970 0.041 . 2 . . 352 . A 30 LEU CD2 . 30404 1 360 . 1 1 30 30 LEU N N 15 119.097 0.023 . 1 . . 45 . A 30 LEU N . 30404 1 361 . 1 1 31 31 SER H H 1 8.424 0.004 . 1 . . 64 . A 31 SER H . 30404 1 362 . 1 1 31 31 SER HA H 1 4.24 0.001 . 1 . . 671 . A 31 SER HA . 30404 1 363 . 1 1 31 31 SER HB2 H 1 3.957 . . 2 . . 672 . A 31 SER HB2 . 30404 1 364 . 1 1 31 31 SER HB3 H 1 3.995 0.001 . 2 . . 673 . A 31 SER HB3 . 30404 1 365 . 1 1 31 31 SER C C 13 177.032 . . 1 . . 924 . A 31 SER C . 30404 1 366 . 1 1 31 31 SER CA C 13 61.837 0.049 . 1 . . 292 . A 31 SER CA . 30404 1 367 . 1 1 31 31 SER CB C 13 62.858 0.022 . 1 . . 293 . A 31 SER CB . 30404 1 368 . 1 1 31 31 SER N N 15 114.028 0.023 . 1 . . 65 . A 31 SER N . 30404 1 369 . 1 1 32 32 LEU H H 1 7.599 0.003 . 1 . . 153 . A 32 LEU H . 30404 1 370 . 1 1 32 32 LEU HA H 1 4.177 0.003 . 1 . . 358 . A 32 LEU HA . 30404 1 371 . 1 1 32 32 LEU HB2 H 1 1.771 0.002 . 2 . . 359 . A 32 LEU HB2 . 30404 1 372 . 1 1 32 32 LEU HB3 H 1 1.944 0.001 . 2 . . 360 . A 32 LEU HB3 . 30404 1 373 . 1 1 32 32 LEU HG H 1 1.438 0.003 . 1 . . 364 . A 32 LEU HG . 30404 1 374 . 1 1 32 32 LEU HD11 H 1 0.858 0.002 . 2 . . 365 . A 32 LEU HD11 . 30404 1 375 . 1 1 32 32 LEU HD12 H 1 0.858 0.002 . 2 . . 365 . A 32 LEU HD12 . 30404 1 376 . 1 1 32 32 LEU HD13 H 1 0.858 0.002 . 2 . . 365 . A 32 LEU HD13 . 30404 1 377 . 1 1 32 32 LEU HD21 H 1 0.735 0.003 . 2 . . 366 . A 32 LEU HD21 . 30404 1 378 . 1 1 32 32 LEU HD22 H 1 0.735 0.003 . 2 . . 366 . A 32 LEU HD22 . 30404 1 379 . 1 1 32 32 LEU HD23 H 1 0.735 0.003 . 2 . . 366 . A 32 LEU HD23 . 30404 1 380 . 1 1 32 32 LEU C C 13 178.242 . . 1 . . 925 . A 32 LEU C . 30404 1 381 . 1 1 32 32 LEU CA C 13 58.190 0.023 . 1 . . 291 . A 32 LEU CA . 30404 1 382 . 1 1 32 32 LEU CB C 13 41.428 0.044 . 1 . . 290 . A 32 LEU CB . 30404 1 383 . 1 1 32 32 LEU CG C 13 27.151 0.077 . 1 . . 361 . A 32 LEU CG . 30404 1 384 . 1 1 32 32 LEU CD1 C 13 23.855 0.026 . 2 . . 362 . A 32 LEU CD1 . 30404 1 385 . 1 1 32 32 LEU CD2 C 13 25.780 0.059 . 2 . . 363 . A 32 LEU CD2 . 30404 1 386 . 1 1 32 32 LEU N N 15 122.951 0.048 . 1 . . 154 . A 32 LEU N . 30404 1 387 . 1 1 33 33 LEU H H 1 8.052 0.005 . 1 . . 157 . A 33 LEU H . 30404 1 388 . 1 1 33 33 LEU HA H 1 3.778 0.001 . 1 . . 367 . A 33 LEU HA . 30404 1 389 . 1 1 33 33 LEU HB2 H 1 1.157 0.002 . 2 . . 368 . A 33 LEU HB2 . 30404 1 390 . 1 1 33 33 LEU HB3 H 1 1.973 0.001 . 2 . . 369 . A 33 LEU HB3 . 30404 1 391 . 1 1 33 33 LEU HG H 1 2.08 0.003 . 1 . . 373 . A 33 LEU HG . 30404 1 392 . 1 1 33 33 LEU HD11 H 1 0.594 0.004 . 2 . . 371 . A 33 LEU HD11 . 30404 1 393 . 1 1 33 33 LEU HD12 H 1 0.594 0.004 . 2 . . 371 . A 33 LEU HD12 . 30404 1 394 . 1 1 33 33 LEU HD13 H 1 0.594 0.004 . 2 . . 371 . A 33 LEU HD13 . 30404 1 395 . 1 1 33 33 LEU HD21 H 1 0.687 0.001 . 2 . . 375 . A 33 LEU HD21 . 30404 1 396 . 1 1 33 33 LEU HD22 H 1 0.687 0.001 . 2 . . 375 . A 33 LEU HD22 . 30404 1 397 . 1 1 33 33 LEU HD23 H 1 0.687 0.001 . 2 . . 375 . A 33 LEU HD23 . 30404 1 398 . 1 1 33 33 LEU C C 13 179.455 . . 1 . . 926 . A 33 LEU C . 30404 1 399 . 1 1 33 33 LEU CA C 13 57.945 0.024 . 1 . . 287 . A 33 LEU CA . 30404 1 400 . 1 1 33 33 LEU CB C 13 41.617 0.043 . 1 . . 288 . A 33 LEU CB . 30404 1 401 . 1 1 33 33 LEU CG C 13 26.372 0.034 . 1 . . 372 . A 33 LEU CG . 30404 1 402 . 1 1 33 33 LEU CD1 C 13 23.608 0.03 . 2 . . 370 . A 33 LEU CD1 . 30404 1 403 . 1 1 33 33 LEU CD2 C 13 26.173 0.031 . 2 . . 374 . A 33 LEU CD2 . 30404 1 404 . 1 1 33 33 LEU N N 15 116.423 0.019 . 1 . . 158 . A 33 LEU N . 30404 1 405 . 1 1 34 34 GLN H H 1 8.127 0.004 . 1 . . 167 . A 34 GLN H . 30404 1 406 . 1 1 34 34 GLN HA H 1 4.37 0.003 . 1 . . 820 . A 34 GLN HA . 30404 1 407 . 1 1 34 34 GLN HB2 H 1 2.194 0.0 . 1 . . 821 . A 34 GLN HB2 . 30404 1 408 . 1 1 34 34 GLN HB3 H 1 2.194 0.0 . 1 . . 822 . A 34 GLN HB3 . 30404 1 409 . 1 1 34 34 GLN HG2 H 1 2.214 0.004 . 2 . . 823 . A 34 GLN HG2 . 30404 1 410 . 1 1 34 34 GLN HG3 H 1 2.448 0.002 . 2 . . 824 . A 34 GLN HG3 . 30404 1 411 . 1 1 34 34 GLN HE21 H 1 7.204 . . 1 . . 33 . A 34 GLN HE21 . 30404 1 412 . 1 1 34 34 GLN HE22 H 1 6.853 . . 1 . . 41 . A 34 GLN HE22 . 30404 1 413 . 1 1 34 34 GLN C C 13 179.918 . . 1 . . 927 . A 34 GLN C . 30404 1 414 . 1 1 34 34 GLN CA C 13 59.024 0.024 . 1 . . 289 . A 34 GLN CA . 30404 1 415 . 1 1 34 34 GLN CB C 13 29.336 0.024 . 1 . . 273 . A 34 GLN CB . 30404 1 416 . 1 1 34 34 GLN CG C 13 34.937 0.039 . 1 . . 819 . A 34 GLN CG . 30404 1 417 . 1 1 34 34 GLN N N 15 117.777 0.025 . 1 . . 168 . A 34 GLN N . 30404 1 418 . 1 1 34 34 GLN NE2 N 15 109.926 0.002 . 1 . . 34 . A 34 GLN NE2 . 30404 1 419 . 1 1 35 35 LYS H H 1 8.377 0.005 . 1 . . 11 . A 35 LYS H . 30404 1 420 . 1 1 35 35 LYS HA H 1 4.051 0.006 . 1 . . 584 . A 35 LYS HA . 30404 1 421 . 1 1 35 35 LYS HB2 H 1 2.031 0.002 . 1 . . 586 . A 35 LYS HB2 . 30404 1 422 . 1 1 35 35 LYS HB3 H 1 2.031 0.002 . 1 . . 587 . A 35 LYS HB3 . 30404 1 423 . 1 1 35 35 LYS HG2 H 1 1.577 0.003 . 1 . . 883 . A 35 LYS HG2 . 30404 1 424 . 1 1 35 35 LYS HG3 H 1 1.577 0.003 . 1 . . 884 . A 35 LYS HG3 . 30404 1 425 . 1 1 35 35 LYS HE2 H 1 2.966 0.002 . 1 . . 622 . A 35 LYS HE2 . 30404 1 426 . 1 1 35 35 LYS HE3 H 1 2.966 0.002 . 1 . . 623 . A 35 LYS HE3 . 30404 1 427 . 1 1 35 35 LYS C C 13 178.945 . . 1 . . 928 . A 35 LYS C . 30404 1 428 . 1 1 35 35 LYS CA C 13 59.626 0.067 . 1 . . 275 . A 35 LYS CA . 30404 1 429 . 1 1 35 35 LYS CB C 13 32.277 0.026 . 1 . . 274 . A 35 LYS CB . 30404 1 430 . 1 1 35 35 LYS CG C 13 25.162 0.032 . 1 . . 588 . A 35 LYS CG . 30404 1 431 . 1 1 35 35 LYS CD C 13 29.255 0.03 . 1 . . 589 . A 35 LYS CD . 30404 1 432 . 1 1 35 35 LYS CE C 13 42.059 0.057 . 1 . . 590 . A 35 LYS CE . 30404 1 433 . 1 1 35 35 LYS N N 15 123.281 0.035 . 1 . . 12 . A 35 LYS N . 30404 1 434 . 1 1 36 36 GLU H H 1 8.061 0.004 . 1 . . 159 . A 36 GLU H . 30404 1 435 . 1 1 36 36 GLU HA H 1 4.278 0.001 . 1 . . 585 . A 36 GLU HA . 30404 1 436 . 1 1 36 36 GLU HB2 H 1 1.736 0.003 . 2 . . 797 . A 36 GLU HB2 . 30404 1 437 . 1 1 36 36 GLU HB3 H 1 2.321 0.002 . 2 . . 798 . A 36 GLU HB3 . 30404 1 438 . 1 1 36 36 GLU HG2 H 1 2.138 0.001 . 2 . . 799 . A 36 GLU HG2 . 30404 1 439 . 1 1 36 36 GLU HG3 H 1 2.355 . . 2 . . 800 . A 36 GLU HG3 . 30404 1 440 . 1 1 36 36 GLU C C 13 176.531 . . 1 . . 929 . A 36 GLU C . 30404 1 441 . 1 1 36 36 GLU CA C 13 56.001 0.027 . 1 . . 276 . A 36 GLU CA . 30404 1 442 . 1 1 36 36 GLU CB C 13 30.078 0.064 . 1 . . 277 . A 36 GLU CB . 30404 1 443 . 1 1 36 36 GLU CG C 13 36.412 0.021 . 1 . . 796 . A 36 GLU CG . 30404 1 444 . 1 1 36 36 GLU N N 15 114.621 0.048 . 1 . . 160 . A 36 GLU N . 30404 1 445 . 1 1 37 37 GLY H H 1 7.69 0.004 . 1 . . 125 . A 37 GLY H . 30404 1 446 . 1 1 37 37 GLY HA2 H 1 3.841 0.001 . 2 . . 776 . A 37 GLY HA2 . 30404 1 447 . 1 1 37 37 GLY HA3 H 1 4.045 0.003 . 2 . . 777 . A 37 GLY HA3 . 30404 1 448 . 1 1 37 37 GLY C C 13 174.569 . . 1 . . 930 . A 37 GLY C . 30404 1 449 . 1 1 37 37 GLY CA C 13 46.005 0.033 . 1 . . 278 . A 37 GLY CA . 30404 1 450 . 1 1 37 37 GLY N N 15 106.814 0.082 . 1 . . 126 . A 37 GLY N . 30404 1 451 . 1 1 38 38 LEU H H 1 7.902 0.005 . 1 . . 149 . A 38 LEU H . 30404 1 452 . 1 1 38 38 LEU HA H 1 4.196 0.003 . 1 . . 376 . A 38 LEU HA . 30404 1 453 . 1 1 38 38 LEU HB2 H 1 1.425 0.004 . 2 . . 380 . A 38 LEU HB2 . 30404 1 454 . 1 1 38 38 LEU HB3 H 1 1.58 0.002 . 2 . . 381 . A 38 LEU HB3 . 30404 1 455 . 1 1 38 38 LEU HG H 1 1.465 0.002 . 1 . . 382 . A 38 LEU HG . 30404 1 456 . 1 1 38 38 LEU HD11 H 1 0.741 0.002 . 2 . . 383 . A 38 LEU HD11 . 30404 1 457 . 1 1 38 38 LEU HD12 H 1 0.741 0.002 . 2 . . 383 . A 38 LEU HD12 . 30404 1 458 . 1 1 38 38 LEU HD13 H 1 0.741 0.002 . 2 . . 383 . A 38 LEU HD13 . 30404 1 459 . 1 1 38 38 LEU HD21 H 1 0.736 0.0 . 2 . . 384 . A 38 LEU HD21 . 30404 1 460 . 1 1 38 38 LEU HD22 H 1 0.736 0.0 . 2 . . 384 . A 38 LEU HD22 . 30404 1 461 . 1 1 38 38 LEU HD23 H 1 0.736 0.0 . 2 . . 384 . A 38 LEU HD23 . 30404 1 462 . 1 1 38 38 LEU C C 13 175.444 . . 1 . . 931 . A 38 LEU C . 30404 1 463 . 1 1 38 38 LEU CA C 13 55.160 0.027 . 1 . . 279 . A 38 LEU CA . 30404 1 464 . 1 1 38 38 LEU CB C 13 43.107 0.028 . 1 . . 280 . A 38 LEU CB . 30404 1 465 . 1 1 38 38 LEU CG C 13 27.491 0.072 . 1 . . 379 . A 38 LEU CG . 30404 1 466 . 1 1 38 38 LEU CD1 C 13 22.944 0.027 . 2 . . 377 . A 38 LEU CD1 . 30404 1 467 . 1 1 38 38 LEU CD2 C 13 25.806 0.045 . 2 . . 378 . A 38 LEU CD2 . 30404 1 468 . 1 1 38 38 LEU N N 15 118.881 0.019 . 1 . . 150 . A 38 LEU N . 30404 1 469 . 1 1 39 39 LEU H H 1 7.009 0.004 . 1 . . 76 . A 39 LEU H . 30404 1 470 . 1 1 39 39 LEU HA H 1 4.511 0.001 . 1 . . 385 . A 39 LEU HA . 30404 1 471 . 1 1 39 39 LEU HB2 H 1 1.15 0.001 . 2 . . 386 . A 39 LEU HB2 . 30404 1 472 . 1 1 39 39 LEU HB3 H 1 1.519 0.004 . 2 . . 387 . A 39 LEU HB3 . 30404 1 473 . 1 1 39 39 LEU HG H 1 1.308 0.001 . 1 . . 391 . A 39 LEU HG . 30404 1 474 . 1 1 39 39 LEU HD11 H 1 0.823 0.003 . 2 . . 392 . A 39 LEU HD11 . 30404 1 475 . 1 1 39 39 LEU HD12 H 1 0.823 0.003 . 2 . . 392 . A 39 LEU HD12 . 30404 1 476 . 1 1 39 39 LEU HD13 H 1 0.823 0.003 . 2 . . 392 . A 39 LEU HD13 . 30404 1 477 . 1 1 39 39 LEU HD21 H 1 0.842 0.003 . 2 . . 393 . A 39 LEU HD21 . 30404 1 478 . 1 1 39 39 LEU HD22 H 1 0.842 0.003 . 2 . . 393 . A 39 LEU HD22 . 30404 1 479 . 1 1 39 39 LEU HD23 H 1 0.842 0.003 . 2 . . 393 . A 39 LEU HD23 . 30404 1 480 . 1 1 39 39 LEU C C 13 175.800 . . 1 . . 932 . A 39 LEU C . 30404 1 481 . 1 1 39 39 LEU CA C 13 53.414 0.034 . 1 . . 282 . A 39 LEU CA . 30404 1 482 . 1 1 39 39 LEU CB C 13 45.044 0.028 . 1 . . 281 . A 39 LEU CB . 30404 1 483 . 1 1 39 39 LEU CG C 13 26.841 0.084 . 1 . . 388 . A 39 LEU CG . 30404 1 484 . 1 1 39 39 LEU CD1 C 13 26.037 0.037 . 2 . . 389 . A 39 LEU CD1 . 30404 1 485 . 1 1 39 39 LEU CD2 C 13 25.035 0.031 . 2 . . 390 . A 39 LEU CD2 . 30404 1 486 . 1 1 39 39 LEU N N 15 115.505 0.014 . 1 . . 77 . A 39 LEU N . 30404 1 487 . 1 1 40 40 MET H H 1 9.078 0.005 . 1 . . 23 . A 40 MET H . 30404 1 488 . 1 1 40 40 MET HA H 1 4.518 0.003 . 1 . . 758 . A 40 MET HA . 30404 1 489 . 1 1 40 40 MET HB2 H 1 2.107 0.003 . 2 . . 756 . A 40 MET HB2 . 30404 1 490 . 1 1 40 40 MET HB3 H 1 2.173 0.002 . 2 . . 757 . A 40 MET HB3 . 30404 1 491 . 1 1 40 40 MET HG2 H 1 2.483 0.004 . 2 . . 760 . A 40 MET HG2 . 30404 1 492 . 1 1 40 40 MET HG3 H 1 2.669 0.001 . 2 . . 761 . A 40 MET HG3 . 30404 1 493 . 1 1 40 40 MET HE1 H 1 2.069 0.001 . 1 . . 769 . A 40 MET HE1 . 30404 1 494 . 1 1 40 40 MET HE2 H 1 2.069 0.001 . 1 . . 769 . A 40 MET HE2 . 30404 1 495 . 1 1 40 40 MET HE3 H 1 2.069 0.001 . 1 . . 769 . A 40 MET HE3 . 30404 1 496 . 1 1 40 40 MET C C 13 176.624 . . 1 . . 933 . A 40 MET C . 30404 1 497 . 1 1 40 40 MET CA C 13 56.644 0.036 . 1 . . 283 . A 40 MET CA . 30404 1 498 . 1 1 40 40 MET CB C 13 32.217 0.066 . 1 . . 284 . A 40 MET CB . 30404 1 499 . 1 1 40 40 MET CG C 13 32.474 0.03 . 1 . . 759 . A 40 MET CG . 30404 1 500 . 1 1 40 40 MET CE C 13 17.007 0.027 . 1 . . 768 . A 40 MET CE . 30404 1 501 . 1 1 40 40 MET N N 15 123.344 0.026 . 1 . . 24 . A 40 MET N . 30404 1 502 . 1 1 41 41 SER H H 1 7.773 0.004 . 1 . . 103 . A 41 SER H . 30404 1 503 . 1 1 41 41 SER HA H 1 4.921 0.002 . 1 . . 676 . A 41 SER HA . 30404 1 504 . 1 1 41 41 SER HB2 H 1 3.748 0.003 . 2 . . 674 . A 41 SER HB2 . 30404 1 505 . 1 1 41 41 SER HB3 H 1 3.862 0.003 . 2 . . 675 . A 41 SER HB3 . 30404 1 506 . 1 1 41 41 SER CA C 13 55.370 0.025 . 1 . . 285 . A 41 SER CA . 30404 1 507 . 1 1 41 41 SER CB C 13 64.652 0.029 . 1 . . 286 . A 41 SER CB . 30404 1 508 . 1 1 41 41 SER N N 15 114.110 0.036 . 1 . . 104 . A 41 SER N . 30404 1 509 . 1 1 42 42 PRO HA H 1 4.102 0.003 . 1 . . 720 . A 42 PRO HA . 30404 1 510 . 1 1 42 42 PRO HB2 H 1 1.967 0.003 . 2 . . 722 . A 42 PRO HB2 . 30404 1 511 . 1 1 42 42 PRO HB3 H 1 2.202 0.001 . 2 . . 723 . A 42 PRO HB3 . 30404 1 512 . 1 1 42 42 PRO HG2 H 1 1.96 0.005 . 2 . . 725 . A 42 PRO HG2 . 30404 1 513 . 1 1 42 42 PRO HG3 H 1 2.223 0.001 . 2 . . 726 . A 42 PRO HG3 . 30404 1 514 . 1 1 42 42 PRO HD2 H 1 3.854 0.002 . 2 . . 727 . A 42 PRO HD2 . 30404 1 515 . 1 1 42 42 PRO HD3 H 1 3.928 0.004 . 2 . . 728 . A 42 PRO HD3 . 30404 1 516 . 1 1 42 42 PRO C C 13 176.442 . . 1 . . 934 . A 42 PRO C . 30404 1 517 . 1 1 42 42 PRO CA C 13 65.917 0.036 . 1 . . 181 . A 42 PRO CA . 30404 1 518 . 1 1 42 42 PRO CB C 13 31.887 0.039 . 1 . . 182 . A 42 PRO CB . 30404 1 519 . 1 1 42 42 PRO CG C 13 27.905 0.03 . 1 . . 721 . A 42 PRO CG . 30404 1 520 . 1 1 42 42 PRO CD C 13 50.752 0.037 . 1 . . 724 . A 42 PRO CD . 30404 1 521 . 1 1 43 43 SER H H 1 7.748 0.004 . 1 . . 1 . A 43 SER H . 30404 1 522 . 1 1 43 43 SER HA H 1 3.763 0.002 . 1 . . 677 . A 43 SER HA . 30404 1 523 . 1 1 43 43 SER HB2 H 1 3.826 0.004 . 2 . . 678 . A 43 SER HB2 . 30404 1 524 . 1 1 43 43 SER HB3 H 1 4.016 . . 2 . . 679 . A 43 SER HB3 . 30404 1 525 . 1 1 43 43 SER C C 13 176.443 . . 1 . . 935 . A 43 SER C . 30404 1 526 . 1 1 43 43 SER CA C 13 60.339 0.036 . 1 . . 173 . A 43 SER CA . 30404 1 527 . 1 1 43 43 SER CB C 13 62.615 0.032 . 1 . . 174 . A 43 SER CB . 30404 1 528 . 1 1 43 43 SER N N 15 107.891 0.054 . 1 . . 2 . A 43 SER N . 30404 1 529 . 1 1 44 44 ASP H H 1 8.226 0.006 . 1 . . 13 . A 44 ASP H . 30404 1 530 . 1 1 44 44 ASP HA H 1 4.453 0.002 . 1 . . 403 . A 44 ASP HA . 30404 1 531 . 1 1 44 44 ASP HB2 H 1 2.841 0.003 . 2 . . 404 . A 44 ASP HB2 . 30404 1 532 . 1 1 44 44 ASP HB3 H 1 2.947 0.005 . 2 . . 405 . A 44 ASP HB3 . 30404 1 533 . 1 1 44 44 ASP C C 13 178.043 . . 1 . . 936 . A 44 ASP C . 30404 1 534 . 1 1 44 44 ASP CA C 13 57.164 0.029 . 1 . . 175 . A 44 ASP CA . 30404 1 535 . 1 1 44 44 ASP CB C 13 40.615 0.029 . 1 . . 176 . A 44 ASP CB . 30404 1 536 . 1 1 44 44 ASP N N 15 124.584 0.035 . 1 . . 14 . A 44 ASP N . 30404 1 537 . 1 1 45 45 LEU H H 1 7.556 0.004 . 1 . . 74 . A 45 LEU H . 30404 1 538 . 1 1 45 45 LEU HA H 1 4.24 0.003 . 1 . . 394 . A 45 LEU HA . 30404 1 539 . 1 1 45 45 LEU HB2 H 1 1.492 0.006 . 2 . . 396 . A 45 LEU HB2 . 30404 1 540 . 1 1 45 45 LEU HB3 H 1 1.62 0.0 . 2 . . 397 . A 45 LEU HB3 . 30404 1 541 . 1 1 45 45 LEU HG H 1 1.882 0.004 . 1 . . 398 . A 45 LEU HG . 30404 1 542 . 1 1 45 45 LEU HD11 H 1 0.845 0.003 . 2 . . 400 . A 45 LEU HD11 . 30404 1 543 . 1 1 45 45 LEU HD12 H 1 0.845 0.003 . 2 . . 400 . A 45 LEU HD12 . 30404 1 544 . 1 1 45 45 LEU HD13 H 1 0.845 0.003 . 2 . . 400 . A 45 LEU HD13 . 30404 1 545 . 1 1 45 45 LEU HD21 H 1 0.892 0.003 . 2 . . 402 . A 45 LEU HD21 . 30404 1 546 . 1 1 45 45 LEU HD22 H 1 0.892 0.003 . 2 . . 402 . A 45 LEU HD22 . 30404 1 547 . 1 1 45 45 LEU HD23 H 1 0.892 0.003 . 2 . . 402 . A 45 LEU HD23 . 30404 1 548 . 1 1 45 45 LEU C C 13 176.179 . . 1 . . 976 . A 45 LEU C . 30404 1 549 . 1 1 45 45 LEU CA C 13 56.542 0.033 . 1 . . 178 . A 45 LEU CA . 30404 1 550 . 1 1 45 45 LEU CB C 13 42.163 0.022 . 1 . . 177 . A 45 LEU CB . 30404 1 551 . 1 1 45 45 LEU CG C 13 26.623 0.081 . 1 . . 395 . A 45 LEU CG . 30404 1 552 . 1 1 45 45 LEU CD1 C 13 25.556 0.067 . 2 . . 399 . A 45 LEU CD1 . 30404 1 553 . 1 1 45 45 LEU CD2 C 13 25.271 0.045 . 2 . . 401 . A 45 LEU CD2 . 30404 1 554 . 1 1 45 45 LEU N N 15 118.135 0.025 . 1 . . 75 . A 45 LEU N . 30404 1 555 . 1 1 46 46 TYR H H 1 7.203 0.004 . 1 . . 169 . A 46 TYR H . 30404 1 556 . 1 1 46 46 TYR HA H 1 4.693 0.001 . 1 . . 539 . A 46 TYR HA . 30404 1 557 . 1 1 46 46 TYR HB2 H 1 2.979 0.003 . 2 . . 537 . A 46 TYR HB2 . 30404 1 558 . 1 1 46 46 TYR HB3 H 1 3.422 0.003 . 2 . . 538 . A 46 TYR HB3 . 30404 1 559 . 1 1 46 46 TYR HD1 H 1 7.163 0.0 . 1 . . 553 . A 46 TYR HD1 . 30404 1 560 . 1 1 46 46 TYR HD2 H 1 7.163 0.0 . 1 . . 553 . A 46 TYR HD2 . 30404 1 561 . 1 1 46 46 TYR HE1 H 1 6.724 0.001 . 1 . . 550 . A 46 TYR HE1 . 30404 1 562 . 1 1 46 46 TYR HE2 H 1 6.724 0.001 . 1 . . 550 . A 46 TYR HE2 . 30404 1 563 . 1 1 46 46 TYR C C 13 176.722 . . 1 . . 937 . A 46 TYR C . 30404 1 564 . 1 1 46 46 TYR CA C 13 57.306 0.053 . 1 . . 179 . A 46 TYR CA . 30404 1 565 . 1 1 46 46 TYR CB C 13 37.761 0.041 . 1 . . 180 . A 46 TYR CB . 30404 1 566 . 1 1 46 46 TYR CD1 C 13 132.243 . . 1 . . 551 . A 46 TYR CD1 . 30404 1 567 . 1 1 46 46 TYR CD2 C 13 132.243 . . 1 . . 551 . A 46 TYR CD2 . 30404 1 568 . 1 1 46 46 TYR CE1 C 13 117.642 . . 1 . . 549 . A 46 TYR CE1 . 30404 1 569 . 1 1 46 46 TYR CE2 C 13 117.642 . . 1 . . 549 . A 46 TYR CE2 . 30404 1 570 . 1 1 46 46 TYR N N 15 112.654 0.046 . 1 . . 170 . A 46 TYR N . 30404 1 571 . 1 1 47 47 SER H H 1 7.506 0.004 . 1 . . 139 . A 47 SER H . 30404 1 572 . 1 1 47 47 SER HA H 1 4.702 0.002 . 1 . . 682 . A 47 SER HA . 30404 1 573 . 1 1 47 47 SER HB2 H 1 3.933 . . 1 . . 680 . A 47 SER HB2 . 30404 1 574 . 1 1 47 47 SER HB3 H 1 3.933 . . 1 . . 681 . A 47 SER HB3 . 30404 1 575 . 1 1 47 47 SER CA C 13 54.718 0.033 . 1 . . 249 . A 47 SER CA . 30404 1 576 . 1 1 47 47 SER CB C 13 63.835 0.028 . 1 . . 248 . A 47 SER CB . 30404 1 577 . 1 1 47 47 SER N N 15 114.408 0.027 . 1 . . 140 . A 47 SER N . 30404 1 578 . 1 1 48 48 PRO HA H 1 1.676 0.002 . 1 . . 740 . A 48 PRO HA . 30404 1 579 . 1 1 48 48 PRO HB2 H 1 1.426 0.0 . 2 . . 731 . A 48 PRO HB2 . 30404 1 580 . 1 1 48 48 PRO HB3 H 1 1.443 0.0 . 2 . . 732 . A 48 PRO HB3 . 30404 1 581 . 1 1 48 48 PRO HG2 H 1 1.774 0.001 . 2 . . 735 . A 48 PRO HG2 . 30404 1 582 . 1 1 48 48 PRO HG3 H 1 1.417 0.001 . 2 . . 737 . A 48 PRO HG3 . 30404 1 583 . 1 1 48 48 PRO HD2 H 1 3.545 0.001 . 2 . . 738 . A 48 PRO HD2 . 30404 1 584 . 1 1 48 48 PRO HD3 H 1 3.934 0.002 . 2 . . 739 . A 48 PRO HD3 . 30404 1 585 . 1 1 48 48 PRO C C 13 178.419 . . 1 . . 938 . A 48 PRO C . 30404 1 586 . 1 1 48 48 PRO CA C 13 62.736 0.045 . 1 . . 334 . A 48 PRO CA . 30404 1 587 . 1 1 48 48 PRO CB C 13 31.680 0.018 . 1 . . 335 . A 48 PRO CB . 30404 1 588 . 1 1 48 48 PRO CG C 13 27.248 0.018 . 1 . . 734 . A 48 PRO CG . 30404 1 589 . 1 1 48 48 PRO CD C 13 50.917 0.04 . 1 . . 733 . A 48 PRO CD . 30404 1 590 . 1 1 49 49 GLY H H 1 7.964 0.005 . 1 . . 58 . A 49 GLY H . 30404 1 591 . 1 1 49 49 GLY HA2 H 1 3.711 0.001 . 2 . . 778 . A 49 GLY HA2 . 30404 1 592 . 1 1 49 49 GLY HA3 H 1 3.85 0.002 . 2 . . 779 . A 49 GLY HA3 . 30404 1 593 . 1 1 49 49 GLY C C 13 175.072 . . 1 . . 939 . A 49 GLY C . 30404 1 594 . 1 1 49 49 GLY CA C 13 46.089 0.025 . 1 . . 333 . A 49 GLY CA . 30404 1 595 . 1 1 49 49 GLY N N 15 104.913 0.068 . 1 . . 59 . A 49 GLY N . 30404 1 596 . 1 1 50 50 SER H H 1 7.958 0.005 . 1 . . 91 . A 50 SER H . 30404 1 597 . 1 1 50 50 SER HA H 1 4.43 0.002 . 1 . . 683 . A 50 SER HA . 30404 1 598 . 1 1 50 50 SER HB2 H 1 3.899 0.002 . 2 . . 684 . A 50 SER HB2 . 30404 1 599 . 1 1 50 50 SER HB3 H 1 4.065 0.001 . 2 . . 685 . A 50 SER HB3 . 30404 1 600 . 1 1 50 50 SER C C 13 177.061 . . 1 . . 940 . A 50 SER C . 30404 1 601 . 1 1 50 50 SER CA C 13 59.701 0.054 . 1 . . 329 . A 50 SER CA . 30404 1 602 . 1 1 50 50 SER CB C 13 64.457 0.031 . 1 . . 330 . A 50 SER CB . 30404 1 603 . 1 1 50 50 SER N N 15 114.858 0.02 . 1 . . 92 . A 50 SER N . 30404 1 604 . 1 1 51 51 TRP H H 1 7.245 0.004 . 1 . . 31 . A 51 TRP H . 30404 1 605 . 1 1 51 51 TRP HA H 1 4.938 0.003 . 1 . . 705 . A 51 TRP HA . 30404 1 606 . 1 1 51 51 TRP HB2 H 1 3.486 0.001 . 2 . . 707 . A 51 TRP HB2 . 30404 1 607 . 1 1 51 51 TRP HB3 H 1 3.573 0.004 . 2 . . 708 . A 51 TRP HB3 . 30404 1 608 . 1 1 51 51 TRP HD1 H 1 7.108 0.004 . 1 . . 558 . A 51 TRP HD1 . 30404 1 609 . 1 1 51 51 TRP HE1 H 1 10.471 . . 1 . . 110 . A 51 TRP HE1 . 30404 1 610 . 1 1 51 51 TRP HE3 H 1 7.643 0.001 . 1 . . 563 . A 51 TRP HE3 . 30404 1 611 . 1 1 51 51 TRP HZ2 H 1 7.189 . . 1 . . 555 . A 51 TRP HZ2 . 30404 1 612 . 1 1 51 51 TRP HZ3 H 1 7.026 0.001 . 1 . . 561 . A 51 TRP HZ3 . 30404 1 613 . 1 1 51 51 TRP HH2 H 1 6.903 . . 1 . . 560 . A 51 TRP HH2 . 30404 1 614 . 1 1 51 51 TRP C C 13 178.038 . . 1 . . 941 . A 51 TRP C . 30404 1 615 . 1 1 51 51 TRP CA C 13 59.420 0.043 . 1 . . 327 . A 51 TRP CA . 30404 1 616 . 1 1 51 51 TRP CB C 13 29.616 0.038 . 1 . . 328 . A 51 TRP CB . 30404 1 617 . 1 1 51 51 TRP CD1 C 13 125.111 0.02 . 1 . . 557 . A 51 TRP CD1 . 30404 1 618 . 1 1 51 51 TRP CE3 C 13 121.340 . . 1 . . 562 . A 51 TRP CE3 . 30404 1 619 . 1 1 51 51 TRP CZ2 C 13 114.039 . . 1 . . 554 . A 51 TRP CZ2 . 30404 1 620 . 1 1 51 51 TRP CZ3 C 13 121.383 . . 1 . . 556 . A 51 TRP CZ3 . 30404 1 621 . 1 1 51 51 TRP CH2 C 13 123.475 . . 1 . . 559 . A 51 TRP CH2 . 30404 1 622 . 1 1 51 51 TRP N N 15 122.345 0.028 . 1 . . 32 . A 51 TRP N . 30404 1 623 . 1 1 51 51 TRP NE1 N 15 129.352 . . 1 . . 111 . A 51 TRP NE1 . 30404 1 624 . 1 1 52 52 ASP H H 1 9.339 0.006 . 1 . . 93 . A 52 ASP H . 30404 1 625 . 1 1 52 52 ASP HA H 1 4.852 0.002 . 1 . . 839 . A 52 ASP HA . 30404 1 626 . 1 1 52 52 ASP HB2 H 1 2.754 0.007 . 2 . . 837 . A 52 ASP HB2 . 30404 1 627 . 1 1 52 52 ASP HB3 H 1 2.905 0.0 . 2 . . 838 . A 52 ASP HB3 . 30404 1 628 . 1 1 52 52 ASP CA C 13 59.290 0.015 . 1 . . 332 . A 52 ASP CA . 30404 1 629 . 1 1 52 52 ASP CB C 13 37.453 0.032 . 1 . . 331 . A 52 ASP CB . 30404 1 630 . 1 1 52 52 ASP N N 15 120.147 0.022 . 1 . . 94 . A 52 ASP N . 30404 1 631 . 1 1 53 53 PRO HA H 1 4.354 0.002 . 1 . . 741 . A 53 PRO HA . 30404 1 632 . 1 1 53 53 PRO HB2 H 1 1.9 0.005 . 2 . . 729 . A 53 PRO HB2 . 30404 1 633 . 1 1 53 53 PRO HB3 H 1 2.349 0.001 . 2 . . 730 . A 53 PRO HB3 . 30404 1 634 . 1 1 53 53 PRO HG2 H 1 1.99 0.0 . 2 . . 746 . A 53 PRO HG2 . 30404 1 635 . 1 1 53 53 PRO HG3 H 1 2.229 0.0 . 2 . . 747 . A 53 PRO HG3 . 30404 1 636 . 1 1 53 53 PRO HD2 H 1 3.693 0.001 . 2 . . 743 . A 53 PRO HD2 . 30404 1 637 . 1 1 53 53 PRO HD3 H 1 3.718 0.002 . 2 . . 745 . A 53 PRO HD3 . 30404 1 638 . 1 1 53 53 PRO C C 13 180.151 . . 1 . . 942 . A 53 PRO C . 30404 1 639 . 1 1 53 53 PRO CA C 13 66.013 0.037 . 1 . . 246 . A 53 PRO CA . 30404 1 640 . 1 1 53 53 PRO CB C 13 31.360 0.031 . 1 . . 247 . A 53 PRO CB . 30404 1 641 . 1 1 53 53 PRO CG C 13 28.106 0.016 . 1 . . 742 . A 53 PRO CG . 30404 1 642 . 1 1 53 53 PRO CD C 13 50.726 0.05 . 1 . . 744 . A 53 PRO CD . 30404 1 643 . 1 1 54 54 ILE H H 1 7.417 0.004 . 1 . . 70 . A 54 ILE H . 30404 1 644 . 1 1 54 54 ILE HA H 1 3.377 0.002 . 1 . . 482 . A 54 ILE HA . 30404 1 645 . 1 1 54 54 ILE HB H 1 1.704 0.003 . 1 . . 486 . A 54 ILE HB . 30404 1 646 . 1 1 54 54 ILE HG12 H 1 0.569 0.003 . 2 . . 487 . A 54 ILE HG12 . 30404 1 647 . 1 1 54 54 ILE HG13 H 1 1.906 0.002 . 2 . . 488 . A 54 ILE HG13 . 30404 1 648 . 1 1 54 54 ILE HG21 H 1 -0.705 0.003 . 1 . . 489 . A 54 ILE HG21 . 30404 1 649 . 1 1 54 54 ILE HG22 H 1 -0.705 0.003 . 1 . . 489 . A 54 ILE HG22 . 30404 1 650 . 1 1 54 54 ILE HG23 H 1 -0.705 0.003 . 1 . . 489 . A 54 ILE HG23 . 30404 1 651 . 1 1 54 54 ILE HD11 H 1 0.576 0.004 . 1 . . 490 . A 54 ILE HD11 . 30404 1 652 . 1 1 54 54 ILE HD12 H 1 0.576 0.004 . 1 . . 490 . A 54 ILE HD12 . 30404 1 653 . 1 1 54 54 ILE HD13 H 1 0.576 0.004 . 1 . . 490 . A 54 ILE HD13 . 30404 1 654 . 1 1 54 54 ILE C C 13 176.980 . . 1 . . 943 . A 54 ILE C . 30404 1 655 . 1 1 54 54 ILE CA C 13 66.422 0.041 . 1 . . 245 . A 54 ILE CA . 30404 1 656 . 1 1 54 54 ILE CB C 13 37.541 0.025 . 1 . . 244 . A 54 ILE CB . 30404 1 657 . 1 1 54 54 ILE CG1 C 13 30.333 0.041 . 1 . . 485 . A 54 ILE CG1 . 30404 1 658 . 1 1 54 54 ILE CG2 C 13 16.179 0.035 . 1 . . 483 . A 54 ILE CG2 . 30404 1 659 . 1 1 54 54 ILE CD1 C 13 14.224 0.058 . 1 . . 484 . A 54 ILE CD1 . 30404 1 660 . 1 1 54 54 ILE N N 15 119.010 0.022 . 1 . . 71 . A 54 ILE N . 30404 1 661 . 1 1 55 55 THR H H 1 8.657 0.003 . 1 . . 17 . A 55 THR H . 30404 1 662 . 1 1 55 55 THR HA H 1 3.714 0.003 . 1 . . 663 . A 55 THR HA . 30404 1 663 . 1 1 55 55 THR HB H 1 4.551 0.005 . 1 . . 699 . A 55 THR HB . 30404 1 664 . 1 1 55 55 THR HG21 H 1 1.312 0.002 . 1 . . 701 . A 55 THR HG21 . 30404 1 665 . 1 1 55 55 THR HG22 H 1 1.312 0.002 . 1 . . 701 . A 55 THR HG22 . 30404 1 666 . 1 1 55 55 THR HG23 H 1 1.312 0.002 . 1 . . 701 . A 55 THR HG23 . 30404 1 667 . 1 1 55 55 THR C C 13 177.418 . . 1 . . 944 . A 55 THR C . 30404 1 668 . 1 1 55 55 THR CA C 13 67.473 0.041 . 1 . . 243 . A 55 THR CA . 30404 1 669 . 1 1 55 55 THR CB C 13 68.717 0.021 . 1 . . 242 . A 55 THR CB . 30404 1 670 . 1 1 55 55 THR CG2 C 13 22.646 0.039 . 1 . . 700 . A 55 THR CG2 . 30404 1 671 . 1 1 55 55 THR N N 15 118.078 0.011 . 1 . . 18 . A 55 THR N . 30404 1 672 . 1 1 56 56 ALA H H 1 8.506 0.004 . 1 . . 68 . A 56 ALA H . 30404 1 673 . 1 1 56 56 ALA HA H 1 4.132 0.002 . 1 . . 507 . A 56 ALA HA . 30404 1 674 . 1 1 56 56 ALA HB1 H 1 1.477 0.001 . 1 . . 506 . A 56 ALA HB1 . 30404 1 675 . 1 1 56 56 ALA HB2 H 1 1.477 0.001 . 1 . . 506 . A 56 ALA HB2 . 30404 1 676 . 1 1 56 56 ALA HB3 H 1 1.477 0.001 . 1 . . 506 . A 56 ALA HB3 . 30404 1 677 . 1 1 56 56 ALA C C 13 180.064 . . 1 . . 945 . A 56 ALA C . 30404 1 678 . 1 1 56 56 ALA CA C 13 55.527 0.048 . 1 . . 240 . A 56 ALA CA . 30404 1 679 . 1 1 56 56 ALA CB C 13 18.064 0.053 . 1 . . 241 . A 56 ALA CB . 30404 1 680 . 1 1 56 56 ALA N N 15 123.804 0.049 . 1 . . 69 . A 56 ALA N . 30404 1 681 . 1 1 57 57 ALA H H 1 7.976 0.004 . 1 . . 112 . A 57 ALA H . 30404 1 682 . 1 1 57 57 ALA HA H 1 4.177 0.003 . 1 . . 509 . A 57 ALA HA . 30404 1 683 . 1 1 57 57 ALA HB1 H 1 1.463 0.002 . 1 . . 510 . A 57 ALA HB1 . 30404 1 684 . 1 1 57 57 ALA HB2 H 1 1.463 0.002 . 1 . . 510 . A 57 ALA HB2 . 30404 1 685 . 1 1 57 57 ALA HB3 H 1 1.463 0.002 . 1 . . 510 . A 57 ALA HB3 . 30404 1 686 . 1 1 57 57 ALA C C 13 181.870 . . 1 . . 946 . A 57 ALA C . 30404 1 687 . 1 1 57 57 ALA CA C 13 55.155 0.045 . 1 . . 238 . A 57 ALA CA . 30404 1 688 . 1 1 57 57 ALA CB C 13 19.363 0.074 . 1 . . 239 . A 57 ALA CB . 30404 1 689 . 1 1 57 57 ALA N N 15 121.242 0.029 . 1 . . 113 . A 57 ALA N . 30404 1 690 . 1 1 58 58 LEU H H 1 8.803 0.004 . 1 . . 121 . A 58 LEU H . 30404 1 691 . 1 1 58 58 LEU HA H 1 4.079 0.005 . 1 . . 406 . A 58 LEU HA . 30404 1 692 . 1 1 58 58 LEU HB2 H 1 1.785 . . 2 . . 410 . A 58 LEU HB2 . 30404 1 693 . 1 1 58 58 LEU HB3 H 1 1.236 0.002 . 2 . . 411 . A 58 LEU HB3 . 30404 1 694 . 1 1 58 58 LEU HG H 1 1.632 0.004 . 1 . . 412 . A 58 LEU HG . 30404 1 695 . 1 1 58 58 LEU HD11 H 1 0.61 0.004 . 2 . . 413 . A 58 LEU HD11 . 30404 1 696 . 1 1 58 58 LEU HD12 H 1 0.61 0.004 . 2 . . 413 . A 58 LEU HD12 . 30404 1 697 . 1 1 58 58 LEU HD13 H 1 0.61 0.004 . 2 . . 413 . A 58 LEU HD13 . 30404 1 698 . 1 1 58 58 LEU HD21 H 1 0.514 0.004 . 2 . . 414 . A 58 LEU HD21 . 30404 1 699 . 1 1 58 58 LEU HD22 H 1 0.514 0.004 . 2 . . 414 . A 58 LEU HD22 . 30404 1 700 . 1 1 58 58 LEU HD23 H 1 0.514 0.004 . 2 . . 414 . A 58 LEU HD23 . 30404 1 701 . 1 1 58 58 LEU C C 13 179.912 . . 1 . . 947 . A 58 LEU C . 30404 1 702 . 1 1 58 58 LEU CA C 13 57.464 0.02 . 1 . . 237 . A 58 LEU CA . 30404 1 703 . 1 1 58 58 LEU CB C 13 41.686 0.029 . 1 . . 236 . A 58 LEU CB . 30404 1 704 . 1 1 58 58 LEU CG C 13 26.447 0.086 . 1 . . 407 . A 58 LEU CG . 30404 1 705 . 1 1 58 58 LEU CD1 C 13 22.263 0.042 . 2 . . 409 . A 58 LEU CD1 . 30404 1 706 . 1 1 58 58 LEU CD2 C 13 25.768 0.047 . 2 . . 408 . A 58 LEU CD2 . 30404 1 707 . 1 1 58 58 LEU N N 15 117.539 0.032 . 1 . . 122 . A 58 LEU N . 30404 1 708 . 1 1 59 59 SER H H 1 8.512 0.004 . 1 . . 131 . A 59 SER H . 30404 1 709 . 1 1 59 59 SER HA H 1 4.358 0.002 . 1 . . 690 . A 59 SER HA . 30404 1 710 . 1 1 59 59 SER HB2 H 1 4.136 0.003 . 2 . . 689 . A 59 SER HB2 . 30404 1 711 . 1 1 59 59 SER HB3 H 1 3.986 . . 2 . . 691 . A 59 SER HB3 . 30404 1 712 . 1 1 59 59 SER C C 13 176.437 . . 1 . . 948 . A 59 SER C . 30404 1 713 . 1 1 59 59 SER CA C 13 62.431 0.024 . 1 . . 235 . A 59 SER CA . 30404 1 714 . 1 1 59 59 SER CB C 13 62.601 0.041 . 1 . . 234 . A 59 SER CB . 30404 1 715 . 1 1 59 59 SER N N 15 117.679 0.029 . 1 . . 132 . A 59 SER N . 30404 1 716 . 1 1 60 60 GLN H H 1 7.916 0.004 . 1 . . 171 . A 60 GLN H . 30404 1 717 . 1 1 60 60 GLN HA H 1 4.171 0.004 . 1 . . 828 . A 60 GLN HA . 30404 1 718 . 1 1 60 60 GLN HB2 H 1 2.197 0.002 . 1 . . 829 . A 60 GLN HB2 . 30404 1 719 . 1 1 60 60 GLN HB3 H 1 2.197 0.002 . 1 . . 830 . A 60 GLN HB3 . 30404 1 720 . 1 1 60 60 GLN HG2 H 1 2.437 0.001 . 2 . . 826 . A 60 GLN HG2 . 30404 1 721 . 1 1 60 60 GLN HG3 H 1 2.485 0.004 . 2 . . 827 . A 60 GLN HG3 . 30404 1 722 . 1 1 60 60 GLN HE21 H 1 6.804 . . 1 . . 78 . A 60 GLN HE21 . 30404 1 723 . 1 1 60 60 GLN HE22 H 1 7.396 . . 1 . . 118 . A 60 GLN HE22 . 30404 1 724 . 1 1 60 60 GLN C C 13 177.954 . . 1 . . 949 . A 60 GLN C . 30404 1 725 . 1 1 60 60 GLN CA C 13 59.034 0.029 . 1 . . 232 . A 60 GLN CA . 30404 1 726 . 1 1 60 60 GLN CB C 13 28.424 0.044 . 1 . . 233 . A 60 GLN CB . 30404 1 727 . 1 1 60 60 GLN CG C 13 33.910 0.046 . 1 . . 825 . A 60 GLN CG . 30404 1 728 . 1 1 60 60 GLN N N 15 122.284 0.033 . 1 . . 172 . A 60 GLN N . 30404 1 729 . 1 1 60 60 GLN NE2 N 15 111.202 0.0 . 1 . . 79 . A 60 GLN NE2 . 30404 1 730 . 1 1 61 61 ARG H H 1 7.837 0.004 . 1 . . 25 . A 61 ARG H . 30404 1 731 . 1 1 61 61 ARG HA H 1 4.093 0.003 . 1 . . 854 . A 61 ARG HA . 30404 1 732 . 1 1 61 61 ARG HB2 H 1 1.872 0.003 . 2 . . 855 . A 61 ARG HB2 . 30404 1 733 . 1 1 61 61 ARG HB3 H 1 1.914 0.005 . 2 . . 856 . A 61 ARG HB3 . 30404 1 734 . 1 1 61 61 ARG HG2 H 1 1.779 0.002 . 2 . . 857 . A 61 ARG HG2 . 30404 1 735 . 1 1 61 61 ARG HG3 H 1 1.779 0.002 . 2 . . 858 . A 61 ARG HG3 . 30404 1 736 . 1 1 61 61 ARG HD2 H 1 3.014 0.002 . 2 . . 851 . A 61 ARG HD2 . 30404 1 737 . 1 1 61 61 ARG HD3 H 1 3.209 0.003 . 2 . . 852 . A 61 ARG HD3 . 30404 1 738 . 1 1 61 61 ARG HE H 1 7.828 . . 1 . . 859 . A 61 ARG HE . 30404 1 739 . 1 1 61 61 ARG C C 13 178.062 . . 1 . . 950 . A 61 ARG C . 30404 1 740 . 1 1 61 61 ARG CA C 13 58.999 0.038 . 1 . . 850 . A 61 ARG CA . 30404 1 741 . 1 1 61 61 ARG CB C 13 30.467 0.052 . 1 . . 231 . A 61 ARG CB . 30404 1 742 . 1 1 61 61 ARG CG C 13 27.609 0.043 . 1 . . 853 . A 61 ARG CG . 30404 1 743 . 1 1 61 61 ARG CD C 13 43.546 0.025 . 1 . . 849 . A 61 ARG CD . 30404 1 744 . 1 1 61 61 ARG N N 15 119.346 0.035 . 1 . . 26 . A 61 ARG N . 30404 1 745 . 1 1 61 61 ARG NE N 15 84.890 . . 1 . . 82 . A 61 ARG NE . 30404 1 746 . 1 1 62 62 ALA H H 1 7.883 0.005 . 1 . . 27 . A 62 ALA H . 30404 1 747 . 1 1 62 62 ALA HA H 1 3.893 0.003 . 1 . . 512 . A 62 ALA HA . 30404 1 748 . 1 1 62 62 ALA HB1 H 1 1.513 0.002 . 1 . . 511 . A 62 ALA HB1 . 30404 1 749 . 1 1 62 62 ALA HB2 H 1 1.513 0.002 . 1 . . 511 . A 62 ALA HB2 . 30404 1 750 . 1 1 62 62 ALA HB3 H 1 1.513 0.002 . 1 . . 511 . A 62 ALA HB3 . 30404 1 751 . 1 1 62 62 ALA C C 13 179.752 . . 1 . . 951 . A 62 ALA C . 30404 1 752 . 1 1 62 62 ALA CA C 13 55.251 0.037 . 1 . . 230 . A 62 ALA CA . 30404 1 753 . 1 1 62 62 ALA CB C 13 19.127 0.066 . 1 . . 229 . A 62 ALA CB . 30404 1 754 . 1 1 62 62 ALA N N 15 120.597 0.041 . 1 . . 28 . A 62 ALA N . 30404 1 755 . 1 1 63 63 MET H H 1 7.863 0.004 . 1 . . 66 . A 63 MET H . 30404 1 756 . 1 1 63 63 MET HA H 1 4.22 0.004 . 1 . . 767 . A 63 MET HA . 30404 1 757 . 1 1 63 63 MET HB2 H 1 2.182 0.001 . 2 . . 763 . A 63 MET HB2 . 30404 1 758 . 1 1 63 63 MET HB3 H 1 2.202 0.001 . 2 . . 764 . A 63 MET HB3 . 30404 1 759 . 1 1 63 63 MET HG2 H 1 2.594 0.005 . 2 . . 765 . A 63 MET HG2 . 30404 1 760 . 1 1 63 63 MET HG3 H 1 2.719 0.002 . 2 . . 766 . A 63 MET HG3 . 30404 1 761 . 1 1 63 63 MET HE1 H 1 2.092 0.002 . 1 . . 771 . A 63 MET HE1 . 30404 1 762 . 1 1 63 63 MET HE2 H 1 2.092 0.002 . 1 . . 771 . A 63 MET HE2 . 30404 1 763 . 1 1 63 63 MET HE3 H 1 2.092 0.002 . 1 . . 771 . A 63 MET HE3 . 30404 1 764 . 1 1 63 63 MET C C 13 177.976 . . 1 . . 952 . A 63 MET C . 30404 1 765 . 1 1 63 63 MET CA C 13 58.145 0.047 . 1 . . 227 . A 63 MET CA . 30404 1 766 . 1 1 63 63 MET CB C 13 32.898 0.049 . 1 . . 228 . A 63 MET CB . 30404 1 767 . 1 1 63 63 MET CG C 13 32.038 0.03 . 1 . . 762 . A 63 MET CG . 30404 1 768 . 1 1 63 63 MET CE C 13 16.967 0.04 . 1 . . 770 . A 63 MET CE . 30404 1 769 . 1 1 63 63 MET N N 15 116.520 0.034 . 1 . . 67 . A 63 MET N . 30404 1 770 . 1 1 64 64 ILE H H 1 8.265 0.004 . 1 . . 114 . A 64 ILE H . 30404 1 771 . 1 1 64 64 ILE HA H 1 4.045 0.002 . 1 . . 491 . A 64 ILE HA . 30404 1 772 . 1 1 64 64 ILE HB H 1 1.956 0.002 . 1 . . 495 . A 64 ILE HB . 30404 1 773 . 1 1 64 64 ILE HG12 H 1 1.336 0.004 . 2 . . 496 . A 64 ILE HG12 . 30404 1 774 . 1 1 64 64 ILE HG13 H 1 1.613 0.004 . 2 . . 497 . A 64 ILE HG13 . 30404 1 775 . 1 1 64 64 ILE HG21 H 1 0.933 0.003 . 1 . . 498 . A 64 ILE HG21 . 30404 1 776 . 1 1 64 64 ILE HG22 H 1 0.933 0.003 . 1 . . 498 . A 64 ILE HG22 . 30404 1 777 . 1 1 64 64 ILE HG23 H 1 0.933 0.003 . 1 . . 498 . A 64 ILE HG23 . 30404 1 778 . 1 1 64 64 ILE HD11 H 1 0.847 0.002 . 1 . . 499 . A 64 ILE HD11 . 30404 1 779 . 1 1 64 64 ILE HD12 H 1 0.847 0.002 . 1 . . 499 . A 64 ILE HD12 . 30404 1 780 . 1 1 64 64 ILE HD13 H 1 0.847 0.002 . 1 . . 499 . A 64 ILE HD13 . 30404 1 781 . 1 1 64 64 ILE C C 13 177.823 . . 1 . . 953 . A 64 ILE C . 30404 1 782 . 1 1 64 64 ILE CA C 13 62.954 0.056 . 1 . . 225 . A 64 ILE CA . 30404 1 783 . 1 1 64 64 ILE CB C 13 38.201 0.032 . 1 . . 226 . A 64 ILE CB . 30404 1 784 . 1 1 64 64 ILE CG1 C 13 28.178 0.042 . 1 . . 492 . A 64 ILE CG1 . 30404 1 785 . 1 1 64 64 ILE CG2 C 13 17.387 0.032 . 1 . . 494 . A 64 ILE CG2 . 30404 1 786 . 1 1 64 64 ILE CD1 C 13 12.214 0.027 . 1 . . 493 . A 64 ILE CD1 . 30404 1 787 . 1 1 64 64 ILE N N 15 118.075 0.066 . 1 . . 115 . A 64 ILE N . 30404 1 788 . 1 1 65 65 LEU H H 1 7.955 0.003 . 1 . . 52 . A 65 LEU H . 30404 1 789 . 1 1 65 65 LEU HA H 1 4.502 0.002 . 1 . . 415 . A 65 LEU HA . 30404 1 790 . 1 1 65 65 LEU HB2 H 1 1.597 0.002 . 2 . . 419 . A 65 LEU HB2 . 30404 1 791 . 1 1 65 65 LEU HB3 H 1 1.918 0.006 . 2 . . 420 . A 65 LEU HB3 . 30404 1 792 . 1 1 65 65 LEU HG H 1 1.756 0.002 . 1 . . 421 . A 65 LEU HG . 30404 1 793 . 1 1 65 65 LEU HD11 H 1 0.908 0.002 . 2 . . 422 . A 65 LEU HD11 . 30404 1 794 . 1 1 65 65 LEU HD12 H 1 0.908 0.002 . 2 . . 422 . A 65 LEU HD12 . 30404 1 795 . 1 1 65 65 LEU HD13 H 1 0.908 0.002 . 2 . . 422 . A 65 LEU HD13 . 30404 1 796 . 1 1 65 65 LEU HD21 H 1 0.936 0.003 . 2 . . 423 . A 65 LEU HD21 . 30404 1 797 . 1 1 65 65 LEU HD22 H 1 0.936 0.003 . 2 . . 423 . A 65 LEU HD22 . 30404 1 798 . 1 1 65 65 LEU HD23 H 1 0.936 0.003 . 2 . . 423 . A 65 LEU HD23 . 30404 1 799 . 1 1 65 65 LEU C C 13 178.425 . . 1 . . 954 . A 65 LEU C . 30404 1 800 . 1 1 65 65 LEU CA C 13 55.101 0.034 . 1 . . 224 . A 65 LEU CA . 30404 1 801 . 1 1 65 65 LEU CB C 13 43.093 0.041 . 1 . . 223 . A 65 LEU CB . 30404 1 802 . 1 1 65 65 LEU CG C 13 26.925 0.047 . 1 . . 418 . A 65 LEU CG . 30404 1 803 . 1 1 65 65 LEU CD1 C 13 22.655 0.029 . 2 . . 416 . A 65 LEU CD1 . 30404 1 804 . 1 1 65 65 LEU CD2 C 13 25.582 0.057 . 2 . . 417 . A 65 LEU CD2 . 30404 1 805 . 1 1 65 65 LEU N N 15 117.101 0.024 . 1 . . 53 . A 65 LEU N . 30404 1 806 . 1 1 66 66 GLY H H 1 7.592 0.004 . 1 . . 137 . A 66 GLY H . 30404 1 807 . 1 1 66 66 GLY HA2 H 1 3.966 0.004 . 2 . . 780 . A 66 GLY HA2 . 30404 1 808 . 1 1 66 66 GLY HA3 H 1 4.113 0.003 . 2 . . 781 . A 66 GLY HA3 . 30404 1 809 . 1 1 66 66 GLY C C 13 174.485 . . 1 . . 955 . A 66 GLY C . 30404 1 810 . 1 1 66 66 GLY CA C 13 46.239 0.034 . 1 . . 222 . A 66 GLY CA . 30404 1 811 . 1 1 66 66 GLY N N 15 107.729 0.051 . 1 . . 138 . A 66 GLY N . 30404 1 812 . 1 1 67 67 LYS H H 1 7.127 0.004 . 1 . . 37 . A 67 LYS H . 30404 1 813 . 1 1 67 67 LYS HA H 1 4.68 0.004 . 1 . . 624 . A 67 LYS HA . 30404 1 814 . 1 1 67 67 LYS HB2 H 1 1.608 0.002 . 2 . . 627 . A 67 LYS HB2 . 30404 1 815 . 1 1 67 67 LYS HB3 H 1 2.02 0.002 . 2 . . 629 . A 67 LYS HB3 . 30404 1 816 . 1 1 67 67 LYS HG2 H 1 1.344 0.002 . 2 . . 630 . A 67 LYS HG2 . 30404 1 817 . 1 1 67 67 LYS HG3 H 1 1.344 0.002 . 2 . . 631 . A 67 LYS HG3 . 30404 1 818 . 1 1 67 67 LYS HD2 H 1 1.606 0.003 . 2 . . 632 . A 67 LYS HD2 . 30404 1 819 . 1 1 67 67 LYS HD3 H 1 1.719 0.006 . 2 . . 633 . A 67 LYS HD3 . 30404 1 820 . 1 1 67 67 LYS HE2 H 1 2.97 0.003 . 2 . . 634 . A 67 LYS HE2 . 30404 1 821 . 1 1 67 67 LYS HE3 H 1 3.027 0.005 . 2 . . 635 . A 67 LYS HE3 . 30404 1 822 . 1 1 67 67 LYS C C 13 175.858 . . 1 . . 956 . A 67 LYS C . 30404 1 823 . 1 1 67 67 LYS CA C 13 54.998 0.049 . 1 . . 220 . A 67 LYS CA . 30404 1 824 . 1 1 67 67 LYS CB C 13 32.985 0.053 . 1 . . 221 . A 67 LYS CB . 30404 1 825 . 1 1 67 67 LYS CG C 13 24.429 0.045 . 1 . . 626 . A 67 LYS CG . 30404 1 826 . 1 1 67 67 LYS CD C 13 29.039 0.053 . 1 . . 628 . A 67 LYS CD . 30404 1 827 . 1 1 67 67 LYS CE C 13 42.307 0.095 . 1 . . 625 . A 67 LYS CE . 30404 1 828 . 1 1 67 67 LYS N N 15 119.008 0.013 . 1 . . 38 . A 67 LYS N . 30404 1 829 . 1 1 68 68 SER H H 1 8.537 0.004 . 1 . . 21 . A 68 SER H . 30404 1 830 . 1 1 68 68 SER HA H 1 4.499 0.004 . 1 . . 688 . A 68 SER HA . 30404 1 831 . 1 1 68 68 SER HB2 H 1 3.849 0.008 . 2 . . 686 . A 68 SER HB2 . 30404 1 832 . 1 1 68 68 SER HB3 H 1 4.084 0.003 . 2 . . 687 . A 68 SER HB3 . 30404 1 833 . 1 1 68 68 SER C C 13 176.072 . . 1 . . 957 . A 68 SER C . 30404 1 834 . 1 1 68 68 SER CA C 13 58.807 0.062 . 1 . . 218 . A 68 SER CA . 30404 1 835 . 1 1 68 68 SER CB C 13 64.386 0.044 . 1 . . 219 . A 68 SER CB . 30404 1 836 . 1 1 68 68 SER N N 15 116.492 0.03 . 1 . . 22 . A 68 SER N . 30404 1 837 . 1 1 69 69 GLY H H 1 9.064 0.004 . 1 . . 19 . A 69 GLY H . 30404 1 838 . 1 1 69 69 GLY HA2 H 1 3.807 0.002 . 2 . . 782 . A 69 GLY HA2 . 30404 1 839 . 1 1 69 69 GLY HA3 H 1 3.969 0.001 . 2 . . 783 . A 69 GLY HA3 . 30404 1 840 . 1 1 69 69 GLY C C 13 176.267 . . 1 . . 958 . A 69 GLY C . 30404 1 841 . 1 1 69 69 GLY CA C 13 47.816 0.03 . 1 . . 217 . A 69 GLY CA . 30404 1 842 . 1 1 69 69 GLY N N 15 113.680 0.062 . 1 . . 20 . A 69 GLY N . 30404 1 843 . 1 1 70 70 GLU H H 1 9.012 0.004 . 1 . . 165 . A 70 GLU H . 30404 1 844 . 1 1 70 70 GLU HA H 1 4.292 0.003 . 1 . . 802 . A 70 GLU HA . 30404 1 845 . 1 1 70 70 GLU HB2 H 1 1.645 0.0 . 2 . . 803 . A 70 GLU HB2 . 30404 1 846 . 1 1 70 70 GLU HB3 H 1 2.173 0.002 . 2 . . 804 . A 70 GLU HB3 . 30404 1 847 . 1 1 70 70 GLU HG2 H 1 2.294 0.003 . 2 . . 805 . A 70 GLU HG2 . 30404 1 848 . 1 1 70 70 GLU HG3 H 1 2.384 0.003 . 2 . . 806 . A 70 GLU HG3 . 30404 1 849 . 1 1 70 70 GLU C C 13 178.249 . . 1 . . 959 . A 70 GLU C . 30404 1 850 . 1 1 70 70 GLU CA C 13 60.910 0.045 . 1 . . 215 . A 70 GLU CA . 30404 1 851 . 1 1 70 70 GLU CB C 13 28.351 0.061 . 1 . . 216 . A 70 GLU CB . 30404 1 852 . 1 1 70 70 GLU CG C 13 37.142 0.043 . 1 . . 801 . A 70 GLU CG . 30404 1 853 . 1 1 70 70 GLU N N 15 120.517 0.04 . 1 . . 166 . A 70 GLU N . 30404 1 854 . 1 1 71 71 LEU H H 1 7.657 0.004 . 1 . . 35 . A 71 LEU H . 30404 1 855 . 1 1 71 71 LEU HA H 1 4.214 0.005 . 1 . . 424 . A 71 LEU HA . 30404 1 856 . 1 1 71 71 LEU HB2 H 1 1.491 0.001 . 2 . . 427 . A 71 LEU HB2 . 30404 1 857 . 1 1 71 71 LEU HB3 H 1 1.979 0.001 . 2 . . 428 . A 71 LEU HB3 . 30404 1 858 . 1 1 71 71 LEU HG H 1 1.659 0.002 . 1 . . 429 . A 71 LEU HG . 30404 1 859 . 1 1 71 71 LEU HD11 H 1 0.964 0.001 . 2 . . 430 . A 71 LEU HD11 . 30404 1 860 . 1 1 71 71 LEU HD12 H 1 0.964 0.001 . 2 . . 430 . A 71 LEU HD12 . 30404 1 861 . 1 1 71 71 LEU HD13 H 1 0.964 0.001 . 2 . . 430 . A 71 LEU HD13 . 30404 1 862 . 1 1 71 71 LEU HD21 H 1 1.041 0.002 . 2 . . 431 . A 71 LEU HD21 . 30404 1 863 . 1 1 71 71 LEU HD22 H 1 1.041 0.002 . 2 . . 431 . A 71 LEU HD22 . 30404 1 864 . 1 1 71 71 LEU HD23 H 1 1.041 0.002 . 2 . . 431 . A 71 LEU HD23 . 30404 1 865 . 1 1 71 71 LEU C C 13 178.928 . . 1 . . 960 . A 71 LEU C . 30404 1 866 . 1 1 71 71 LEU CA C 13 57.914 0.077 . 1 . . 213 . A 71 LEU CA . 30404 1 867 . 1 1 71 71 LEU CB C 13 41.665 0.031 . 1 . . 214 . A 71 LEU CB . 30404 1 868 . 1 1 71 71 LEU CG C 13 27.096 0.071 . 1 . . 426 . A 71 LEU CG . 30404 1 869 . 1 1 71 71 LEU CD1 C 13 26.281 0.038 . 2 . . 425 . A 71 LEU CD1 . 30404 1 870 . 1 1 71 71 LEU CD2 C 13 23.243 0.022 . 2 . . 432 . A 71 LEU CD2 . 30404 1 871 . 1 1 71 71 LEU N N 15 119.639 0.033 . 1 . . 36 . A 71 LEU N . 30404 1 872 . 1 1 72 72 LYS H H 1 7.925 0.003 . 1 . . 97 . A 72 LYS H . 30404 1 873 . 1 1 72 72 LYS HA H 1 4.071 0.009 . 1 . . 636 . A 72 LYS HA . 30404 1 874 . 1 1 72 72 LYS HB2 H 1 2.01 0.003 . 2 . . 638 . A 72 LYS HB2 . 30404 1 875 . 1 1 72 72 LYS HB3 H 1 2.01 0.003 . 2 . . 639 . A 72 LYS HB3 . 30404 1 876 . 1 1 72 72 LYS HG2 H 1 1.541 0.01 . 2 . . 643 . A 72 LYS HG2 . 30404 1 877 . 1 1 72 72 LYS HG3 H 1 1.387 0.003 . 2 . . 644 . A 72 LYS HG3 . 30404 1 878 . 1 1 72 72 LYS HD2 H 1 1.704 0.005 . 1 . . 885 . A 72 LYS HD2 . 30404 1 879 . 1 1 72 72 LYS HD3 H 1 1.704 0.005 . 1 . . 886 . A 72 LYS HD3 . 30404 1 880 . 1 1 72 72 LYS HE2 H 1 2.958 0.001 . 1 . . 645 . A 72 LYS HE2 . 30404 1 881 . 1 1 72 72 LYS HE3 H 1 2.958 0.001 . 1 . . 646 . A 72 LYS HE3 . 30404 1 882 . 1 1 72 72 LYS C C 13 179.743 . . 1 . . 961 . A 72 LYS C . 30404 1 883 . 1 1 72 72 LYS CA C 13 59.604 0.054 . 1 . . 212 . A 72 LYS CA . 30404 1 884 . 1 1 72 72 LYS CB C 13 31.645 0.045 . 1 . . 211 . A 72 LYS CB . 30404 1 885 . 1 1 72 72 LYS CG C 13 25.018 0.047 . 1 . . 640 . A 72 LYS CG . 30404 1 886 . 1 1 72 72 LYS CD C 13 29.249 0.03 . 1 . . 641 . A 72 LYS CD . 30404 1 887 . 1 1 72 72 LYS CE C 13 42.095 0.086 . 1 . . 642 . A 72 LYS CE . 30404 1 888 . 1 1 72 72 LYS N N 15 121.526 0.034 . 1 . . 98 . A 72 LYS N . 30404 1 889 . 1 1 73 73 THR H H 1 8.217 0.004 . 1 . . 85 . A 73 THR H . 30404 1 890 . 1 1 73 73 THR HA H 1 3.773 0.004 . 1 . . 704 . A 73 THR HA . 30404 1 891 . 1 1 73 73 THR HB H 1 4.27 0.004 . 1 . . 703 . A 73 THR HB . 30404 1 892 . 1 1 73 73 THR HG21 H 1 1.178 0.003 . 1 . . 652 . A 73 THR HG21 . 30404 1 893 . 1 1 73 73 THR HG22 H 1 1.178 0.003 . 1 . . 652 . A 73 THR HG22 . 30404 1 894 . 1 1 73 73 THR HG23 H 1 1.178 0.003 . 1 . . 652 . A 73 THR HG23 . 30404 1 895 . 1 1 73 73 THR C C 13 175.515 . . 1 . . 962 . A 73 THR C . 30404 1 896 . 1 1 73 73 THR CA C 13 66.941 0.048 . 1 . . 209 . A 73 THR CA . 30404 1 897 . 1 1 73 73 THR CB C 13 68.201 0.036 . 1 . . 210 . A 73 THR CB . 30404 1 898 . 1 1 73 73 THR CG2 C 13 23.346 0.026 . 1 . . 702 . A 73 THR CG2 . 30404 1 899 . 1 1 73 73 THR N N 15 117.567 0.021 . 1 . . 86 . A 73 THR N . 30404 1 900 . 1 1 74 74 TRP H H 1 8.689 0.004 . 1 . . 135 . A 74 TRP H . 30404 1 901 . 1 1 74 74 TRP HA H 1 4.62 0.003 . 1 . . 706 . A 74 TRP HA . 30404 1 902 . 1 1 74 74 TRP HB2 H 1 3.246 0.006 . 2 . . 709 . A 74 TRP HB2 . 30404 1 903 . 1 1 74 74 TRP HB3 H 1 3.298 0.002 . 2 . . 710 . A 74 TRP HB3 . 30404 1 904 . 1 1 74 74 TRP HD1 H 1 6.846 0.001 . 1 . . 347 . A 74 TRP HD1 . 30404 1 905 . 1 1 74 74 TRP HE1 H 1 10.304 . . 1 . . 83 . A 74 TRP HE1 . 30404 1 906 . 1 1 74 74 TRP HE3 H 1 7.52 . . 1 . . 570 . A 74 TRP HE3 . 30404 1 907 . 1 1 74 74 TRP HZ2 H 1 7.392 0.001 . 1 . . 508 . A 74 TRP HZ2 . 30404 1 908 . 1 1 74 74 TRP HZ3 H 1 6.634 0.001 . 1 . . 567 . A 74 TRP HZ3 . 30404 1 909 . 1 1 74 74 TRP HH2 H 1 6.844 0.002 . 1 . . 568 . A 74 TRP HH2 . 30404 1 910 . 1 1 74 74 TRP C C 13 175.915 . . 1 . . 963 . A 74 TRP C . 30404 1 911 . 1 1 74 74 TRP CA C 13 59.148 0.025 . 1 . . 207 . A 74 TRP CA . 30404 1 912 . 1 1 74 74 TRP CB C 13 30.994 0.065 . 1 . . 206 . A 74 TRP CB . 30404 1 913 . 1 1 74 74 TRP CD1 C 13 124.627 . . 1 . . 348 . A 74 TRP CD1 . 30404 1 914 . 1 1 74 74 TRP CE3 C 13 121.962 . . 1 . . 565 . A 74 TRP CE3 . 30404 1 915 . 1 1 74 74 TRP CZ2 C 13 115.239 . . 1 . . 564 . A 74 TRP CZ2 . 30404 1 916 . 1 1 74 74 TRP CZ3 C 13 120.169 . . 1 . . 566 . A 74 TRP CZ3 . 30404 1 917 . 1 1 74 74 TRP CH2 C 13 123.836 . . 1 . . 569 . A 74 TRP CH2 . 30404 1 918 . 1 1 74 74 TRP N N 15 121.712 0.058 . 1 . . 136 . A 74 TRP N . 30404 1 919 . 1 1 74 74 TRP NE1 N 15 128.866 . . 1 . . 84 . A 74 TRP NE1 . 30404 1 920 . 1 1 75 75 GLY H H 1 8.126 0.004 . 1 . . 15 . A 75 GLY H . 30404 1 921 . 1 1 75 75 GLY HA2 H 1 3.296 0.003 . 2 . . 784 . A 75 GLY HA2 . 30404 1 922 . 1 1 75 75 GLY HA3 H 1 3.812 0.001 . 2 . . 785 . A 75 GLY HA3 . 30404 1 923 . 1 1 75 75 GLY C C 13 177.171 . . 1 . . 964 . A 75 GLY C . 30404 1 924 . 1 1 75 75 GLY CA C 13 47.451 0.03 . 1 . . 208 . A 75 GLY CA . 30404 1 925 . 1 1 75 75 GLY N N 15 103.255 0.035 . 1 . . 16 . A 75 GLY N . 30404 1 926 . 1 1 76 76 LEU H H 1 7.156 0.004 . 1 . . 151 . A 76 LEU H . 30404 1 927 . 1 1 76 76 LEU HA H 1 4.125 0.004 . 1 . . 433 . A 76 LEU HA . 30404 1 928 . 1 1 76 76 LEU HB2 H 1 1.513 0.002 . 2 . . 437 . A 76 LEU HB2 . 30404 1 929 . 1 1 76 76 LEU HB3 H 1 2.027 0.002 . 2 . . 438 . A 76 LEU HB3 . 30404 1 930 . 1 1 76 76 LEU HG H 1 1.796 0.002 . 1 . . 439 . A 76 LEU HG . 30404 1 931 . 1 1 76 76 LEU HD11 H 1 0.937 0.002 . 2 . . 440 . A 76 LEU HD11 . 30404 1 932 . 1 1 76 76 LEU HD12 H 1 0.937 0.002 . 2 . . 440 . A 76 LEU HD12 . 30404 1 933 . 1 1 76 76 LEU HD13 H 1 0.937 0.002 . 2 . . 440 . A 76 LEU HD13 . 30404 1 934 . 1 1 76 76 LEU HD21 H 1 1 0.002 . 2 . . 441 . A 76 LEU HD21 . 30404 1 935 . 1 1 76 76 LEU HD22 H 1 1 0.002 . 2 . . 441 . A 76 LEU HD22 . 30404 1 936 . 1 1 76 76 LEU HD23 H 1 1 0.002 . 2 . . 441 . A 76 LEU HD23 . 30404 1 937 . 1 1 76 76 LEU C C 13 178.419 . . 1 . . 965 . A 76 LEU C . 30404 1 938 . 1 1 76 76 LEU CA C 13 57.479 0.025 . 1 . . 204 . A 76 LEU CA . 30404 1 939 . 1 1 76 76 LEU CB C 13 42.100 0.033 . 1 . . 205 . A 76 LEU CB . 30404 1 940 . 1 1 76 76 LEU CG C 13 27.130 0.109 . 1 . . 434 . A 76 LEU CG . 30404 1 941 . 1 1 76 76 LEU CD1 C 13 22.891 0.021 . 2 . . 435 . A 76 LEU CD1 . 30404 1 942 . 1 1 76 76 LEU CD2 C 13 26.153 0.048 . 2 . . 436 . A 76 LEU CD2 . 30404 1 943 . 1 1 76 76 LEU N N 15 121.320 0.029 . 1 . . 152 . A 76 LEU N . 30404 1 944 . 1 1 77 77 VAL H H 1 8.172 0.005 . 1 . . 39 . A 77 VAL H . 30404 1 945 . 1 1 77 77 VAL HA H 1 3.266 0.002 . 1 . . 532 . A 77 VAL HA . 30404 1 946 . 1 1 77 77 VAL HB H 1 2.004 . . 1 . . 531 . A 77 VAL HB . 30404 1 947 . 1 1 77 77 VAL HG11 H 1 0.733 0.005 . 2 . . 534 . A 77 VAL HG11 . 30404 1 948 . 1 1 77 77 VAL HG12 H 1 0.733 0.005 . 2 . . 534 . A 77 VAL HG12 . 30404 1 949 . 1 1 77 77 VAL HG13 H 1 0.733 0.005 . 2 . . 534 . A 77 VAL HG13 . 30404 1 950 . 1 1 77 77 VAL HG21 H 1 0.907 0.002 . 2 . . 536 . A 77 VAL HG21 . 30404 1 951 . 1 1 77 77 VAL HG22 H 1 0.907 0.002 . 2 . . 536 . A 77 VAL HG22 . 30404 1 952 . 1 1 77 77 VAL HG23 H 1 0.907 0.002 . 2 . . 536 . A 77 VAL HG23 . 30404 1 953 . 1 1 77 77 VAL C C 13 176.533 . . 1 . . 966 . A 77 VAL C . 30404 1 954 . 1 1 77 77 VAL CA C 13 66.365 0.039 . 1 . . 189 . A 77 VAL CA . 30404 1 955 . 1 1 77 77 VAL CB C 13 31.633 0.044 . 1 . . 188 . A 77 VAL CB . 30404 1 956 . 1 1 77 77 VAL CG1 C 13 21.725 0.062 . 2 . . 533 . A 77 VAL CG1 . 30404 1 957 . 1 1 77 77 VAL CG2 C 13 23.784 0.016 . 2 . . 535 . A 77 VAL CG2 . 30404 1 958 . 1 1 77 77 VAL N N 15 120.475 0.038 . 1 . . 40 . A 77 VAL N . 30404 1 959 . 1 1 78 78 LEU H H 1 8.707 0.004 . 1 . . 3 . A 78 LEU H . 30404 1 960 . 1 1 78 78 LEU HA H 1 2.874 0.002 . 1 . . 346 . A 78 LEU HA . 30404 1 961 . 1 1 78 78 LEU HB2 H 1 -0.579 0.005 . 2 . . 338 . A 78 LEU HB2 . 30404 1 962 . 1 1 78 78 LEU HB3 H 1 0.742 0.004 . 2 . . 339 . A 78 LEU HB3 . 30404 1 963 . 1 1 78 78 LEU HG H 1 0.664 0.003 . 1 . . 341 . A 78 LEU HG . 30404 1 964 . 1 1 78 78 LEU HD11 H 1 -0.119 0.003 . 2 . . 344 . A 78 LEU HD11 . 30404 1 965 . 1 1 78 78 LEU HD12 H 1 -0.119 0.003 . 2 . . 344 . A 78 LEU HD12 . 30404 1 966 . 1 1 78 78 LEU HD13 H 1 -0.119 0.003 . 2 . . 344 . A 78 LEU HD13 . 30404 1 967 . 1 1 78 78 LEU HD21 H 1 0.45 0.001 . 2 . . 345 . A 78 LEU HD21 . 30404 1 968 . 1 1 78 78 LEU HD22 H 1 0.45 0.001 . 2 . . 345 . A 78 LEU HD22 . 30404 1 969 . 1 1 78 78 LEU HD23 H 1 0.45 0.001 . 2 . . 345 . A 78 LEU HD23 . 30404 1 970 . 1 1 78 78 LEU C C 13 178.400 . . 1 . . 967 . A 78 LEU C . 30404 1 971 . 1 1 78 78 LEU CA C 13 57.236 0.042 . 1 . . 184 . A 78 LEU CA . 30404 1 972 . 1 1 78 78 LEU CB C 13 39.415 0.035 . 1 . . 183 . A 78 LEU CB . 30404 1 973 . 1 1 78 78 LEU CG C 13 26.017 0.091 . 1 . . 340 . A 78 LEU CG . 30404 1 974 . 1 1 78 78 LEU CD1 C 13 22.059 0.033 . 2 . . 342 . A 78 LEU CD1 . 30404 1 975 . 1 1 78 78 LEU CD2 C 13 24.908 0.047 . 2 . . 343 . A 78 LEU CD2 . 30404 1 976 . 1 1 78 78 LEU N N 15 119.955 0.058 . 1 . . 4 . A 78 LEU N . 30404 1 977 . 1 1 79 79 GLY H H 1 7.023 0.005 . 1 . . 147 . A 79 GLY H . 30404 1 978 . 1 1 79 79 GLY HA2 H 1 3.364 0.001 . 2 . . 786 . A 79 GLY HA2 . 30404 1 979 . 1 1 79 79 GLY HA3 H 1 3.671 0.002 . 2 . . 787 . A 79 GLY HA3 . 30404 1 980 . 1 1 79 79 GLY C C 13 176.101 . . 1 . . 969 . A 79 GLY C . 30404 1 981 . 1 1 79 79 GLY CA C 13 46.901 0.027 . 1 . . 185 . A 79 GLY CA . 30404 1 982 . 1 1 79 79 GLY N N 15 102.373 0.032 . 1 . . 148 . A 79 GLY N . 30404 1 983 . 1 1 80 80 ALA H H 1 7.377 0.006 . 1 . . 145 . A 80 ALA H . 30404 1 984 . 1 1 80 80 ALA HA H 1 3.635 0.008 . 1 . . 513 . A 80 ALA HA . 30404 1 985 . 1 1 80 80 ALA HB1 H 1 1.468 0.004 . 1 . . 514 . A 80 ALA HB1 . 30404 1 986 . 1 1 80 80 ALA HB2 H 1 1.468 0.004 . 1 . . 514 . A 80 ALA HB2 . 30404 1 987 . 1 1 80 80 ALA HB3 H 1 1.468 0.004 . 1 . . 514 . A 80 ALA HB3 . 30404 1 988 . 1 1 80 80 ALA C C 13 179.283 . . 1 . . 968 . A 80 ALA C . 30404 1 989 . 1 1 80 80 ALA CA C 13 54.822 0.029 . 1 . . 186 . A 80 ALA CA . 30404 1 990 . 1 1 80 80 ALA CB C 13 19.450 0.047 . 1 . . 187 . A 80 ALA CB . 30404 1 991 . 1 1 80 80 ALA N N 15 124.510 0.025 . 1 . . 146 . A 80 ALA N . 30404 1 992 . 1 1 81 81 LEU H H 1 8.43 0.005 . 1 . . 5 . A 81 LEU H . 30404 1 993 . 1 1 81 81 LEU HA H 1 3.864 0.002 . 1 . . 442 . A 81 LEU HA . 30404 1 994 . 1 1 81 81 LEU HB2 H 1 1.269 0.005 . 2 . . 443 . A 81 LEU HB2 . 30404 1 995 . 1 1 81 81 LEU HB3 H 1 1.325 0.001 . 2 . . 444 . A 81 LEU HB3 . 30404 1 996 . 1 1 81 81 LEU HG H 1 1.683 0.006 . 1 . . 445 . A 81 LEU HG . 30404 1 997 . 1 1 81 81 LEU HD11 H 1 0.742 0.004 . 2 . . 448 . A 81 LEU HD11 . 30404 1 998 . 1 1 81 81 LEU HD12 H 1 0.742 0.004 . 2 . . 448 . A 81 LEU HD12 . 30404 1 999 . 1 1 81 81 LEU HD13 H 1 0.742 0.004 . 2 . . 448 . A 81 LEU HD13 . 30404 1 1000 . 1 1 81 81 LEU HD21 H 1 0.617 0.005 . 2 . . 450 . A 81 LEU HD21 . 30404 1 1001 . 1 1 81 81 LEU HD22 H 1 0.617 0.005 . 2 . . 450 . A 81 LEU HD22 . 30404 1 1002 . 1 1 81 81 LEU HD23 H 1 0.617 0.005 . 2 . . 450 . A 81 LEU HD23 . 30404 1 1003 . 1 1 81 81 LEU C C 13 180.510 . . 1 . . 970 . A 81 LEU C . 30404 1 1004 . 1 1 81 81 LEU CA C 13 57.601 0.043 . 1 . . 191 . A 81 LEU CA . 30404 1 1005 . 1 1 81 81 LEU CB C 13 41.216 0.037 . 1 . . 190 . A 81 LEU CB . 30404 1 1006 . 1 1 81 81 LEU CG C 13 26.288 0.063 . 1 . . 446 . A 81 LEU CG . 30404 1 1007 . 1 1 81 81 LEU CD1 C 13 21.835 0.039 . 2 . . 447 . A 81 LEU CD1 . 30404 1 1008 . 1 1 81 81 LEU CD2 C 13 25.868 0.045 . 2 . . 449 . A 81 LEU CD2 . 30404 1 1009 . 1 1 81 81 LEU N N 15 118.947 0.032 . 1 . . 6 . A 81 LEU N . 30404 1 1010 . 1 1 82 82 LYS H H 1 8.053 0.006 . 1 . . 46 . A 82 LYS H . 30404 1 1011 . 1 1 82 82 LYS HA H 1 3.868 0.004 . 1 . . 637 . A 82 LYS HA . 30404 1 1012 . 1 1 82 82 LYS HB2 H 1 1.555 0.003 . 2 . . 650 . A 82 LYS HB2 . 30404 1 1013 . 1 1 82 82 LYS HB3 H 1 1.696 0.003 . 2 . . 651 . A 82 LYS HB3 . 30404 1 1014 . 1 1 82 82 LYS HG2 H 1 1.242 0.005 . 2 . . 653 . A 82 LYS HG2 . 30404 1 1015 . 1 1 82 82 LYS HG3 H 1 1.282 0.004 . 2 . . 654 . A 82 LYS HG3 . 30404 1 1016 . 1 1 82 82 LYS HD2 H 1 1.499 0.002 . 2 . . 655 . A 82 LYS HD2 . 30404 1 1017 . 1 1 82 82 LYS HD3 H 1 1.499 0.002 . 2 . . 656 . A 82 LYS HD3 . 30404 1 1018 . 1 1 82 82 LYS HE2 H 1 2.737 0.009 . 2 . . 657 . A 82 LYS HE2 . 30404 1 1019 . 1 1 82 82 LYS HE3 H 1 2.944 0.008 . 2 . . 658 . A 82 LYS HE3 . 30404 1 1020 . 1 1 82 82 LYS C C 13 179.183 . . 1 . . 971 . A 82 LYS C . 30404 1 1021 . 1 1 82 82 LYS CA C 13 59.869 0.05 . 1 . . 192 . A 82 LYS CA . 30404 1 1022 . 1 1 82 82 LYS CB C 13 32.650 0.039 . 1 . . 193 . A 82 LYS CB . 30404 1 1023 . 1 1 82 82 LYS CG C 13 26.475 0.047 . 1 . . 649 . A 82 LYS CG . 30404 1 1024 . 1 1 82 82 LYS CD C 13 29.801 0.035 . 1 . . 648 . A 82 LYS CD . 30404 1 1025 . 1 1 82 82 LYS CE C 13 41.954 0.098 . 1 . . 647 . A 82 LYS CE . 30404 1 1026 . 1 1 82 82 LYS N N 15 118.033 0.039 . 1 . . 47 . A 82 LYS N . 30404 1 1027 . 1 1 83 83 ALA H H 1 7.341 0.004 . 1 . . 60 . A 83 ALA H . 30404 1 1028 . 1 1 83 83 ALA HA H 1 3.95 0.001 . 1 . . 516 . A 83 ALA HA . 30404 1 1029 . 1 1 83 83 ALA HB1 H 1 0.954 0.003 . 1 . . 515 . A 83 ALA HB1 . 30404 1 1030 . 1 1 83 83 ALA HB2 H 1 0.954 0.003 . 1 . . 515 . A 83 ALA HB2 . 30404 1 1031 . 1 1 83 83 ALA HB3 H 1 0.954 0.003 . 1 . . 515 . A 83 ALA HB3 . 30404 1 1032 . 1 1 83 83 ALA C C 13 179.445 . . 1 . . 972 . A 83 ALA C . 30404 1 1033 . 1 1 83 83 ALA CA C 13 54.224 0.04 . 1 . . 194 . A 83 ALA CA . 30404 1 1034 . 1 1 83 83 ALA CB C 13 17.954 0.037 . 1 . . 195 . A 83 ALA CB . 30404 1 1035 . 1 1 83 83 ALA N N 15 121.393 0.023 . 1 . . 61 . A 83 ALA N . 30404 1 1036 . 1 1 84 84 ALA H H 1 7.631 0.004 . 1 . . 143 . A 84 ALA H . 30404 1 1037 . 1 1 84 84 ALA HA H 1 4.157 0.002 . 1 . . 517 . A 84 ALA HA . 30404 1 1038 . 1 1 84 84 ALA HB1 H 1 1.491 0.003 . 1 . . 518 . A 84 ALA HB1 . 30404 1 1039 . 1 1 84 84 ALA HB2 H 1 1.491 0.003 . 1 . . 518 . A 84 ALA HB2 . 30404 1 1040 . 1 1 84 84 ALA HB3 H 1 1.491 0.003 . 1 . . 518 . A 84 ALA HB3 . 30404 1 1041 . 1 1 84 84 ALA C C 13 178.675 . . 1 . . 973 . A 84 ALA C . 30404 1 1042 . 1 1 84 84 ALA CA C 13 53.388 0.035 . 1 . . 196 . A 84 ALA CA . 30404 1 1043 . 1 1 84 84 ALA CB C 13 18.627 0.058 . 1 . . 197 . A 84 ALA CB . 30404 1 1044 . 1 1 84 84 ALA N N 15 119.222 0.022 . 1 . . 144 . A 84 ALA N . 30404 1 1045 . 1 1 85 85 ARG H H 1 7.456 0.003 . 1 . . 9 . A 85 ARG H . 30404 1 1046 . 1 1 85 85 ARG HA H 1 4.355 0.002 . 1 . . 843 . A 85 ARG HA . 30404 1 1047 . 1 1 85 85 ARG HB2 H 1 1.991 0.002 . 2 . . 840 . A 85 ARG HB2 . 30404 1 1048 . 1 1 85 85 ARG HB3 H 1 2.077 0.001 . 2 . . 842 . A 85 ARG HB3 . 30404 1 1049 . 1 1 85 85 ARG HG2 H 1 1.854 0.001 . 2 . . 844 . A 85 ARG HG2 . 30404 1 1050 . 1 1 85 85 ARG HG3 H 1 1.896 0.002 . 2 . . 845 . A 85 ARG HG3 . 30404 1 1051 . 1 1 85 85 ARG HD2 H 1 3.362 0.002 . 2 . . 846 . A 85 ARG HD2 . 30404 1 1052 . 1 1 85 85 ARG HD3 H 1 3.446 0.003 . 2 . . 848 . A 85 ARG HD3 . 30404 1 1053 . 1 1 85 85 ARG HE H 1 7.543 . . 1 . . 860 . A 85 ARG HE . 30404 1 1054 . 1 1 85 85 ARG C C 13 176.341 . . 1 . . 974 . A 85 ARG C . 30404 1 1055 . 1 1 85 85 ARG CA C 13 56.499 0.022 . 1 . . 198 . A 85 ARG CA . 30404 1 1056 . 1 1 85 85 ARG CB C 13 30.886 0.03 . 1 . . 199 . A 85 ARG CB . 30404 1 1057 . 1 1 85 85 ARG CG C 13 27.303 0.051 . 1 . . 841 . A 85 ARG CG . 30404 1 1058 . 1 1 85 85 ARG CD C 13 43.695 0.02 . 1 . . 847 . A 85 ARG CD . 30404 1 1059 . 1 1 85 85 ARG N N 15 116.952 0.027 . 1 . . 10 . A 85 ARG N . 30404 1 1060 . 1 1 85 85 ARG NE N 15 84.340 . . 1 . . 109 . A 85 ARG NE . 30404 1 1061 . 1 1 86 86 GLU H H 1 7.914 0.005 . 1 . . 48 . A 86 GLU H . 30404 1 1062 . 1 1 86 86 GLU HA H 1 4.316 0.001 . 1 . . 812 . A 86 GLU HA . 30404 1 1063 . 1 1 86 86 GLU HB2 H 1 1.99 . . 2 . . 807 . A 86 GLU HB2 . 30404 1 1064 . 1 1 86 86 GLU HB3 H 1 2.15 0.001 . 2 . . 808 . A 86 GLU HB3 . 30404 1 1065 . 1 1 86 86 GLU HG2 H 1 2.302 0.002 . 2 . . 810 . A 86 GLU HG2 . 30404 1 1066 . 1 1 86 86 GLU HG3 H 1 2.39 0.001 . 2 . . 811 . A 86 GLU HG3 . 30404 1 1067 . 1 1 86 86 GLU C C 13 175.581 . . 1 . . 975 . A 86 GLU C . 30404 1 1068 . 1 1 86 86 GLU CA C 13 56.545 0.042 . 1 . . 201 . A 86 GLU CA . 30404 1 1069 . 1 1 86 86 GLU CB C 13 30.001 0.031 . 1 . . 200 . A 86 GLU CB . 30404 1 1070 . 1 1 86 86 GLU CG C 13 36.049 0.029 . 1 . . 809 . A 86 GLU CG . 30404 1 1071 . 1 1 86 86 GLU N N 15 120.635 0.037 . 1 . . 49 . A 86 GLU N . 30404 1 1072 . 1 1 87 87 GLU H H 1 7.806 0.004 . 1 . . 155 . A 87 GLU H . 30404 1 1073 . 1 1 87 87 GLU HA H 1 4.131 0.004 . 1 . . 814 . A 87 GLU HA . 30404 1 1074 . 1 1 87 87 GLU HB2 H 1 1.936 0.001 . 2 . . 815 . A 87 GLU HB2 . 30404 1 1075 . 1 1 87 87 GLU HB3 H 1 2.082 0.0 . 2 . . 816 . A 87 GLU HB3 . 30404 1 1076 . 1 1 87 87 GLU HG2 H 1 2.293 0.0 . 1 . . 817 . A 87 GLU HG2 . 30404 1 1077 . 1 1 87 87 GLU HG3 H 1 2.293 0.0 . 1 . . 818 . A 87 GLU HG3 . 30404 1 1078 . 1 1 87 87 GLU CA C 13 58.090 0.047 . 1 . . 203 . A 87 GLU CA . 30404 1 1079 . 1 1 87 87 GLU CB C 13 31.076 0.02 . 1 . . 202 . A 87 GLU CB . 30404 1 1080 . 1 1 87 87 GLU CG C 13 36.375 0.013 . 1 . . 813 . A 87 GLU CG . 30404 1 1081 . 1 1 87 87 GLU N N 15 126.187 0.042 . 1 . . 156 . A 87 GLU N . 30404 1 stop_ save_